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PubChem_compound

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165412745
SARS-CoV-2-IN-28 (disodium)
SARS-CoV-2-IN-28 (disodium)|HY-151274A|CS-0610870
967.000
C56H58Na2O8P2
117.000
1660.000
null
68
0
8
18
InChI=1S/C56H60O8P2.2Na/c1-3-5-7-9-15-21-61-65(57,58)63-55-51-47-29-49(45-27-41-37-23-35(39(41)25-43(45)47)31-17-11-13-19-33(31)37)53(51)56(64-66(59,60)62-22-16-10-8-6-4-2)54-50-30-48(52(54)55)44-26-40-36-24-38(42(40)28-46(44)50)34-20-14-12-18-32(34)36;;/h11-14,17-20,25-28,35-38,47-50H,3-10,15-16,21-24,29-30H2,1-2H3,(H,57,58)(H,59,60);;/q;2*+1/p-2
CCCCCCCOP(=O)([O-])OC1=C2C3CC(C2=C(C4=C1C5CC4C6=C5C=C7C8CC(C7=C6)C9=CC=CC=C89)OP(=O)([O-])OCCCCCCC)C1=C3C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
CCCCCCCOP(=O)([O-])OC1=C2C3CC(C2=C(C4=C1C5CC4C6=C5C=C7C8CC(C7=C6)C9=CC=CC=C89)OP(=O)([O-])OCCCCCCC)C1=C3C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
XXTWIACXFOXDMB-UHFFFAOYSA-L
disodium;[22-[heptoxy(oxido)phosphoryl]oxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl] heptyl phosphate
966.34
966.34
0
3
0
8
0
8
0
0
0
0
0
0
2D
null
null
0
null
20221102
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
165412747
SARS-CoV-2-IN-29 (disodium)
SARS-CoV-2-IN-29 (disodium)|HY-151276A|CS-0610876
978.900
C58H46Na2O8P2
117.000
1800.000
null
70
0
8
10
InChI=1S/C58H48O8P2.2Na/c1-29-11-15-31(16-12-29)27-63-67(59,60)65-57-53-49-25-51(47-23-43-39-19-37(41(43)21-45(47)49)33-7-3-5-9-35(33)39)55(53)58(66-68(61,62)64-28-32-17-13-30(2)14-18-32)56-52-26-50(54(56)57)46-22-42-38-20-40(44(42)24-48(46)52)36-10-6-4-8-34(36)38;;/h3-18,21-24,37-40,49-52H,19-20,25-28H2,1-2H3,(H,59,60)(H,61,62);;/q;2*+1/p-2
CC1=CC=C(C=C1)COP(=O)([O-])OC2=C3C4CC(C3=C(C5=C2C6CC5C7=C6C=C8C9CC(C8=C7)C1=CC=CC=C91)OP(=O)([O-])OCC1=CC=C(C=C1)C)C1=C4C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
CC1=CC=C(C=C1)COP(=O)([O-])OC2=C3C4CC(C3=C(C5=C2C6CC5C7=C6C=C8C9CC(C8=C7)C1=CC=CC=C91)OP(=O)([O-])OCC1=CC=C(C=C1)C)C1=C4C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
KEJVDAGVJOBFTD-UHFFFAOYSA-L
disodium;[22-[(4-methylphenyl)methoxy-oxidophosphoryl]oxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl] (4-methylphenyl)methyl phosphate
978.246
978.246
0
3
0
8
0
8
0
0
0
0
0
0
2D
null
null
0
null
20221102
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
165412749
SARS-CoV-2-IN-30 (disodium)
SARS-CoV-2-IN-30 (disodium)|HY-151278A|CS-0610884
1007.000
C60H50Na2O8P2
117.000
1830.000
null
72
0
8
12
InChI=1S/C60H52O8P2.2Na/c1-3-31-13-17-33(18-14-31)29-65-69(61,62)67-59-55-51-27-53(49-25-45-41-21-39(43(45)23-47(49)51)35-9-5-7-11-37(35)41)57(55)60(68-70(63,64)66-30-34-19-15-32(4-2)16-20-34)58-54-28-52(56(58)59)48-24-44-40-22-42(46(44)26-50(48)54)38-12-8-6-10-36(38)40;;/h5-20,23-26,39-42,51-54H,3-4,21-22,27-30H2,1-2H3,(H,61,62)(H,63,64);;/q;2*+1/p-2
CCC1=CC=C(C=C1)COP(=O)([O-])OC2=C3C4CC(C3=C(C5=C2C6CC5C7=C6C=C8C9CC(C8=C7)C1=CC=CC=C91)OP(=O)([O-])OCC1=CC=C(C=C1)CC)C1=C4C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
CCC1=CC=C(C=C1)COP(=O)([O-])OC2=C3C4CC(C3=C(C5=C2C6CC5C7=C6C=C8C9CC(C8=C7)C1=CC=CC=C91)OP(=O)([O-])OCC1=CC=C(C=C1)CC)C1=C4C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
WWWSFJFLMJCOCG-UHFFFAOYSA-L
disodium;[22-[(4-ethylphenyl)methoxy-oxidophosphoryl]oxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl] (4-ethylphenyl)methyl phosphate
1006.28
1006.28
0
3
0
8
0
8
0
0
0
0
0
0
2D
null
null
0
null
20221102
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
170836195
PROTAC SARS-CoV-2 Mpro degrader-2
PROTAC SARS-CoV-2 Mpro degrader-2|HY-157805|CS-0999107
910.500
C48H56ClN7O7S
195.000
1650.000
6.300
64
3
10
13
InChI=1S/C48H56ClN7O7S/c1-28(31-8-10-32(11-9-31)43-29(2)50-27-64-43)51-45(60)40-22-35(57)25-55(40)47(62)44(48(4,5)6)52-41(58)26-53-18-20-54(21-19-53)42(59)24-37-30(3)56(39-17-16-36(63-7)23-38(37)39)46(61)33-12-14-34(49)15-13-33/h8-17,23,27-28,35,40,44,57H,18-22,24-26H2,1-7H3,(H,51,60)(H,52,58)/t28-,35+,40-,44+/m0/s1
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CN4CCN(CC4)C(=O)CC5=C(N(C6=C5C=C(C=C6)OC)C(=O)C7=CC=C(C=C7)Cl)C)O
CC1=C(SC=N1)C2=CC=C(C=C2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CN4CCN(CC4)C(=O)CC5=C(N(C6=C5C=C(C=C6)OC)C(=O)C7=CC=C(C=C7)Cl)C)O
QJMUEOZVQRLSGY-BABAJCCMSA-N
(2S,4R)-1-[(2S)-2-[[2-[4-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
909.365
909.365
0
1
0
4
4
0
0
0
0
0
0
0
2D
null
null
0
null
20240302
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
164887543
SARS-CoV-2-IN-23
SARS-CoV-2-IN-23|CS-0564205
318.400
C21H22N2O
69.100
438.000
3.900
24
2
3
4
InChI=1S/C21H22N2O/c1-13-10-11-16(22)12-19(13)21(24)20(23)14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14,20H,22-23H2,1-2H3/t14-,20?/m1/s1
CC1=C(C=C(C=C1)N)C(=O)C([C@H](C)C2=CC=CC3=CC=CC=C32)N
CC1=C(C=C(C=C1)N)C(=O)C(C(C)C2=CC=CC3=CC=CC=C32)N
NWMMMJICVXOQSJ-QMRFKDRMSA-N
(3R)-2-amino-1-(5-amino-2-methylphenyl)-3-naphthalen-1-ylbutan-1-one
318.173
318.173
0
1
0
2
1
1
0
0
0
0
0
0
2D+3D
null
null
0
null
20220905
AbaChemScene
Chemical Vendors
null
170902120
SARS-CoV-2-IN-48
SARS-CoV-2-IN-48
463.500
C26H25NO7
136.000
699.000
4.500
34
5
7
9
InChI=1S/C26H25NO7/c1-2-16-4-3-5-19(12-16)27-26(33)24(15-18-7-10-21(29)23(31)14-18)34-25(32)11-8-17-6-9-20(28)22(30)13-17/h3-14,24,28-31H,2,15H2,1H3,(H,27,33)/b11-8+
CCC1=CC(=CC=C1)NC(=O)C(CC2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O
CCC1=CC(=CC=C1)NC(=O)C(CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O
KQTJKSCNSCEMEY-DHZHZOJOSA-N
[3-(3,4-dihydroxyphenyl)-1-(3-ethylanilino)-1-oxopropan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
463.163
463.163
0
1
0
1
0
1
1
1
0
0
0
0
null
null
null
0
null
20240311
BLD Pharm
Chemical Vendors
null
170902302
SARS-CoV-2 Mpro-IN-3
SARS-CoV-2 Mpro-IN-3
593.700
C31H39N5O7
163.000
1160.000
2.400
43
4
7
14
InChI=1S/C31H39N5O7/c1-31(2,3)43-30(42)35-22-10-7-13-36(29(22)41)24(15-19-11-12-19)27(39)34-23(14-21-16-25(37)32-18-21)26(38)28(40)33-17-20-8-5-4-6-9-20/h4-10,13,19,21,23-24H,11-12,14-18H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24+/m0/s1
CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@H](CC2CC2)C(=O)N[C@@H](C[C@H]3CC(=O)NC3)C(=O)C(=O)NCC4=CC=CC=C4
CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(=O)NC(CC3CC(=O)NC3)C(=O)C(=O)NCC4=CC=CC=C4
KKBFMZKSLMTKLR-OEMFJLHTSA-N
tert-butyl N-[1-[(2R)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-5-oxopyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxopyridin-3-yl]carbamate
593.285
593.285
0
1
0
3
3
0
0
0
0
0
0
0
2D
null
null
0
null
20240311
BLD Pharm
Chemical Vendors
null
164517063
SARS-CoV-2 3CLpro-IN-3
SARS-CoV-2 3CLpro-IN-3|HY-147804
525.400
C23H21BrN6O2S
125.000
684.000
8.800
33
2
8
11
InChI=1S/C23H21BrN6O2S/c1-2-32-22(31)21(28-25-20-15-13-17(24)14-16-20)33-23(29-26-18-9-5-3-6-10-18)30-27-19-11-7-4-8-12-19/h3-16,25-26H,2H2,1H3/b28-21+,29-23+,30-27?
CCOC(=O)/C(=N\NC1=CC=C(C=C1)Br)/S/C(=N/NC2=CC=CC=C2)/N=NC3=CC=CC=C3
CCOC(=O)C(=NNC1=CC=C(C=C1)Br)SC(=NNC2=CC=CC=C2)N=NC3=CC=CC=C3
RBXPXJMTLBBAOI-PFHIICLJSA-N
ethyl (2E)-2-[(E)-N'-anilino-N-phenyliminocarbamimidoyl]sulfanyl-2-[(4-bromophenyl)hydrazinylidene]acetate
524.063
524.063
0
1
0
0
0
0
2
2
0
0
0
0
null
null
null
0
null
20220727
MedChemexpress MCE
Chemical Vendors
null
164517064
SARS-CoV-2 3CLpro-IN-4
SARS-CoV-2 3CLpro-IN-4|HY-147805
450.900
C22H19ClN6OS
116.000
658.000
8.000
31
2
7
9
InChI=1S/C22H19ClN6OS/c1-16(30)21(27-26-20-14-8-9-17(23)15-20)31-22(28-24-18-10-4-2-5-11-18)29-25-19-12-6-3-7-13-19/h2-15,24,26H,1H3/b27-21+,28-22+,29-25?
CC(=O)/C(=N\NC1=CC(=CC=C1)Cl)/S/C(=N/NC2=CC=CC=C2)/N=NC3=CC=CC=C3
CC(=O)C(=NNC1=CC(=CC=C1)Cl)SC(=NNC2=CC=CC=C2)N=NC3=CC=CC=C3
FSTYRXJPZBOGOA-JPJQZZNNSA-N
[(E)-N'-anilino-N-phenyliminocarbamimidoyl] (1E)-N-(3-chloroanilino)-2-oxopropanimidothioate
450.103
450.103
0
1
0
0
0
0
2
2
0
0
0
0
null
null
null
0
null
20220727
MedChemexpress MCE
Chemical Vendors
null
168441062
SARS-CoV-2-IN-25 disodium
SARS-CoV-2-IN-25 disodium
978.900
C58H46Na2O8P2
117.000
1740.000
null
70
0
8
12
InChI=1S/C58H48O8P2.2Na/c59-67(60,63-21-19-31-11-3-1-4-12-31)65-57-53-49-29-51(47-27-43-39-23-37(41(43)25-45(47)49)33-15-7-9-17-35(33)39)55(53)58(66-68(61,62)64-22-20-32-13-5-2-6-14-32)56-52-30-50(54(56)57)46-26-42-38-24-40(44(42)28-48(46)52)36-18-10-8-16-34(36)38;;/h1-18,25-28,37-40,49-52H,19-24,29-30H2,(H,59,60)(H,61,62);;/q;2*+1/p-2
C1C2C3=CC=CC=C3C1C4=CC5=C(C=C24)C6CC5C7=C6C(=C8C9CC(C8=C7OP(=O)([O-])OCCC1=CC=CC=C1)C1=C9C=C2C3CC(C2=C1)C1=CC=CC=C31)OP(=O)([O-])OCCC1=CC=CC=C1.[Na+].[Na+]
C1C2C3=CC=CC=C3C1C4=CC5=C(C=C24)C6CC5C7=C6C(=C8C9CC(C8=C7OP(=O)([O-])OCCC1=CC=CC=C1)C1=C9C=C2C3CC(C2=C1)C1=CC=CC=C31)OP(=O)([O-])OCCC1=CC=CC=C1.[Na+].[Na+]
IOKWWIVPPWMPRS-UHFFFAOYSA-L
disodium;[22-[oxido(2-phenylethoxy)phosphoryl]oxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl] 2-phenylethyl phosphate
978.246
978.246
0
3
0
8
0
8
0
0
0
0
0
0
2D
null
null
0
null
20230818
BLD Pharm
Chemical Vendors
null
168445527
SARS-CoV-2-IN-23 disodium
SARS-CoV-2-IN-23 disodium
910.900
C52H50Na2O8P2
117.000
1590.000
null
64
0
8
12
InChI=1S/C52H52O8P2.2Na/c1-25(2)13-15-57-61(53,54)59-51-47-43-23-45(41-21-37-33-17-31(35(37)19-39(41)43)27-9-5-7-11-29(27)33)49(47)52(60-62(55,56)58-16-14-26(3)4)50-46-24-44(48(50)51)40-20-36-32-18-34(38(36)22-42(40)46)30-12-8-6-10-28(30)32;;/h5-12,19-22,25-26,31-34,43-46H,13-18,23-24H2,1-4H3,(H,53,54)(H,55,56);;/q;2*+1/p-2
CC(C)CCOP(=O)([O-])OC1=C2C3CC(C2=C(C4=C1C5CC4C6=C5C=C7C8CC(C7=C6)C9=CC=CC=C89)OP(=O)([O-])OCCC(C)C)C1=C3C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
CC(C)CCOP(=O)([O-])OC1=C2C3CC(C2=C(C4=C1C5CC4C6=C5C=C7C8CC(C7=C6)C9=CC=CC=C89)OP(=O)([O-])OCCC(C)C)C1=C3C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
YJUHPSCRVNAJRL-UHFFFAOYSA-L
disodium;[22-[3-methylbutoxy(oxido)phosphoryl]oxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl] 3-methylbutyl phosphate
910.278
910.278
0
3
0
8
0
8
0
0
0
0
0
0
2D
null
null
0
null
20230818
BLD Pharm
Chemical Vendors
null
168445598
SARS-CoV-2-IN-28 disodium
SARS-CoV-2-IN-28 disodium
967.000
C56H58Na2O8P2
117.000
1630.000
null
68
0
8
18
InChI=1S/C56H60O8P2.2Na/c1-3-5-7-9-15-21-61-65(57,58)63-55-51-47-29-49(45-27-41-37-23-35(39(41)25-43(45)47)31-17-11-13-19-33(31)37)53(51)56(64-66(59,60)62-22-16-10-8-6-4-2)54-50-30-48(52(54)55)44-26-40-36-24-38(42(40)28-46(44)50)34-20-14-12-18-32(34)36;;/h11-14,17-20,25-28,35-38,47-50H,3-10,15-16,21-24,29-30H2,1-2H3,(H,57,58)(H,59,60);;/q;2*+1/p-2
CCCCCCCOP(=O)([O-])OC1=C2C3CC(C2=C(C4=C1C5CC4C6=C5C=C7C8CC(C7=C6)C9=CC=CC=C89)OP(=O)([O-])OCCCCCCC)C1=C3C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
CCCCCCCOP(=O)([O-])OC1=C2C3CC(C2=C(C4=C1C5CC4C6=C5C=C7C8CC(C7=C6)C9=CC=CC=C89)OP(=O)([O-])OCCCCCCC)C1=C3C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
XXTWIACXFOXDMB-UHFFFAOYSA-L
disodium;[22-[heptoxy(oxido)phosphoryl]oxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl] heptyl phosphate
966.34
966.34
0
3
0
8
0
8
0
0
0
0
0
0
2D
null
null
0
null
20230818
BLD Pharm
Chemical Vendors
null
168445815
SARS-CoV-2-IN-30 disodium
SARS-CoV-2-IN-30 disodium
1007.000
C60H50Na2O8P2
117.000
1800.000
null
72
0
8
12
InChI=1S/C60H52O8P2.2Na/c1-3-31-13-17-33(18-14-31)29-65-69(61,62)67-59-55-51-27-53(49-25-45-41-21-39(43(45)23-47(49)51)35-9-5-7-11-37(35)41)57(55)60(68-70(63,64)66-30-34-19-15-32(4-2)16-20-34)58-54-28-52(56(58)59)48-24-44-40-22-42(46(44)26-50(48)54)38-12-8-6-10-36(38)40;;/h5-20,23-26,39-42,51-54H,3-4,21-22,27-30H2,1-2H3,(H,61,62)(H,63,64);;/q;2*+1/p-2
CCC1=CC=C(C=C1)COP(=O)([O-])OC2=C3C4CC(C3=C(C5=C2C6CC5C7=C6C=C8C9CC(C8=C7)C1=CC=CC=C91)OP(=O)([O-])OCC1=CC=C(C=C1)CC)C1=C4C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
CCC1=CC=C(C=C1)COP(=O)([O-])OC2=C3C4CC(C3=C(C5=C2C6CC5C7=C6C=C8C9CC(C8=C7)C1=CC=CC=C91)OP(=O)([O-])OCC1=CC=C(C=C1)CC)C1=C4C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
WWWSFJFLMJCOCG-UHFFFAOYSA-L
disodium;[22-[(4-ethylphenyl)methoxy-oxidophosphoryl]oxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl] (4-ethylphenyl)methyl phosphate
1006.28
1006.28
0
3
0
8
0
8
0
0
0
0
0
0
2D
null
null
0
null
20230818
BLD Pharm
Chemical Vendors
null
168446423
SARS-CoV-2-IN-27 disodium
SARS-CoV-2-IN-27 disodium
938.900
C54H54Na2O8P2
117.000
1590.000
null
66
0
8
16
InChI=1S/C54H56O8P2.2Na/c1-3-5-7-13-19-59-63(55,56)61-53-49-45-27-47(43-25-39-35-21-33(37(39)23-41(43)45)29-15-9-11-17-31(29)35)51(49)54(62-64(57,58)60-20-14-8-6-4-2)52-48-28-46(50(52)53)42-24-38-34-22-36(40(38)26-44(42)48)32-18-12-10-16-30(32)34;;/h9-12,15-18,23-26,33-36,45-48H,3-8,13-14,19-22,27-28H2,1-2H3,(H,55,56)(H,57,58);;/q;2*+1/p-2
CCCCCCOP(=O)([O-])OC1=C2C3CC(C2=C(C4=C1C5CC4C6=C5C=C7C8CC(C7=C6)C9=CC=CC=C89)OP(=O)([O-])OCCCCCC)C1=C3C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
CCCCCCOP(=O)([O-])OC1=C2C3CC(C2=C(C4=C1C5CC4C6=C5C=C7C8CC(C7=C6)C9=CC=CC=C89)OP(=O)([O-])OCCCCCC)C1=C3C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
UBLOZGRQBMCYNE-UHFFFAOYSA-L
disodium;[22-[hexoxy(oxido)phosphoryl]oxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl] hexyl phosphate
938.309
938.309
0
3
0
8
0
8
0
0
0
0
0
0
2D
null
null
0
null
20230818
BLD Pharm
Chemical Vendors
null
168446679
SARS-CoV-2-IN-29 disodium
SARS-CoV-2-IN-29 disodium
978.900
C58H46Na2O8P2
117.000
1770.000
null
70
0
8
10
InChI=1S/C58H48O8P2.2Na/c1-29-11-15-31(16-12-29)27-63-67(59,60)65-57-53-49-25-51(47-23-43-39-19-37(41(43)21-45(47)49)33-7-3-5-9-35(33)39)55(53)58(66-68(61,62)64-28-32-17-13-30(2)14-18-32)56-52-26-50(54(56)57)46-22-42-38-20-40(44(42)24-48(46)52)36-10-6-4-8-34(36)38;;/h3-18,21-24,37-40,49-52H,19-20,25-28H2,1-2H3,(H,59,60)(H,61,62);;/q;2*+1/p-2
CC1=CC=C(C=C1)COP(=O)([O-])OC2=C3C4CC(C3=C(C5=C2C6CC5C7=C6C=C8C9CC(C8=C7)C1=CC=CC=C91)OP(=O)([O-])OCC1=CC=C(C=C1)C)C1=C4C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
CC1=CC=C(C=C1)COP(=O)([O-])OC2=C3C4CC(C3=C(C5=C2C6CC5C7=C6C=C8C9CC(C8=C7)C1=CC=CC=C91)OP(=O)([O-])OCC1=CC=C(C=C1)C)C1=C4C=C2C3CC(C2=C1)C1=CC=CC=C31.[Na+].[Na+]
KEJVDAGVJOBFTD-UHFFFAOYSA-L
disodium;[22-[(4-methylphenyl)methoxy-oxidophosphoryl]oxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl] (4-methylphenyl)methyl phosphate
978.246
978.246
0
3
0
8
0
8
0
0
0
0
0
0
2D
null
null
0
null
20230818
BLD Pharm
Chemical Vendors
null
166177031
SARS-CoV-2/MERS Mpro-IN-1
SARS-CoV-2/MERS Mpro-IN-1|HY-151990
564.600
C30H36N4O7
143.000
938.000
2.400
41
3
7
13
InChI=1S/C30H36N4O7/c1-40-25-12-6-5-10-21(25)13-15-32-29(38)26(35)23(18-22-14-16-31-27(22)36)33-28(37)24-11-7-17-34(24)30(39)41-19-20-8-3-2-4-9-20/h2-6,8-10,12,22-24H,7,11,13-19H2,1H3,(H,31,36)(H,32,38)(H,33,37)/t22-,23-,24-/m0/s1
COC1=CC=CC=C1CCNC(=O)C(=O)[C@H](C[C@@H]2CCNC2=O)NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4
COC1=CC=CC=C1CCNC(=O)C(=O)C(CC2CCNC2=O)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4
MCNADLGJJOBHNK-HJOGWXRNSA-N
benzyl (2S)-2-[[(2S)-4-[2-(2-methoxyphenyl)ethylamino]-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
564.258
564.258
0
1
0
3
3
0
0
0
0
0
0
0
2D
null
null
0
null
20230103
MedChemexpress MCE
Chemical Vendors
null
168355667
Influenza hemagglutinin (HA) epitope
Influenza hemagglutinin (HA) epitope|HY-P5271|CS-0864179|92000-72-1
1205.300
C56H72N10O18S
444.000
2380.000
-1.800
85
15
20
29
InChI=1S/C56H72N10O18S/c1-28(2)46(55(82)66-21-5-7-43(66)53(80)62-39(25-44(70)71)50(77)59-37(48(75)58-29(3)56(83)84)22-30-8-14-33(67)15-9-30)64-51(78)40(26-45(72)73)60-49(76)38(23-31-10-16-34(68)17-11-31)61-52(79)42-6-4-20-65(42)54(81)41(63-47(74)36(57)27-85)24-32-12-18-35(69)19-13-32/h8-19,28-29,36-43,46,67-69,85H,4-7,20-27,57H2,1-3H3,(H,58,75)(H,59,77)(H,60,76)(H,61,79)(H,62,80)(H,63,74)(H,64,78)(H,70,71)(H,72,73)(H,83,84)/t29-,36-,37-,38-,39-,40-,41-,42-,43-,46-/m0/s1
C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CS)N
CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4CCCN4C(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CS)N
DJQPKBDJPGAMFB-QFKGLCFGSA-N
(3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
1204.47
1204.47
0
1
0
10
10
0
0
0
0
0
0
0
2D
null
null
0
null
20230706
10X CHEM|AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
166642636
Pulmonary arterial hypertension agent-1
Pulmonary arterial hypertension agent-1|HY-148670|CS-0636836|1201082-00-9
431.600
C26H41NO4
70.000
699.000
3.200
31
2
5
12
InChI=1S/C26H41NO4/c1-5-6-9-19(2)24(28)13-12-22-23-17-20(16-21(23)18-25(22)29)10-7-8-11-26(30)31-15-14-27(3)4/h10,12-13,19,21-25,28-29H,7-9,11,14-18H2,1-4H3/b13-12+,20-10+/t19?,21-,22+,23-,24+,25+/m0/s1
CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)OCCN(C)C)/C2)O)O
CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)OCCN(C)C)C2)O)O
IJEFECSGADVPHU-YFHZTOFESA-N
2-(dimethylamino)ethyl (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoate
431.304
431.304
0
1
0
6
5
1
2
2
0
0
0
0
2D
null
null
0
null
20230316
AbaChemScene|BLD Pharm|MedChemexpress MCE
Chemical Vendors
null
168476149
Anti-hepatic fibrosis agent 2
Anti-hepatic fibrosis agent 2|HY-154979|CS-0867839
411.600
C26H41N3O
35.600
555.000
5.900
30
1
2
6
InChI=1S/C26H41N3O/c1-4-7-15-23-22-14-10-17-28-16-9-13-21(25(22)28)18-29(23)26(30)27-24-19(5-2)11-8-12-20(24)6-3/h8,11-12,21-23,25H,4-7,9-10,13-18H2,1-3H3,(H,27,30)/t21-,22+,23+,25-/m0/s1
CCCC[C@@H]1[C@H]2CCCN3[C@H]2[C@@H](CCC3)CN1C(=O)NC4=C(C=CC=C4CC)CC
CCCCC1C2CCCN3C2C(CCC3)CN1C(=O)NC4=C(C=CC=C4CC)CC
YULZSXRDIQHTAR-KBOSCXGNSA-N
(5R,6R,9S,13S)-6-butyl-N-(2,6-diethylphenyl)-1,7-diazatricyclo[7.3.1.05,13]tridecane-7-carboxamide
411.325
411.325
0
1
0
4
4
0
0
0
0
0
0
0
2D
null
null
0
null
20230905
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
168510675
Influenza NP (311-325)
Influenza NP (311-325)|HY-P5502|CS-0884415
1766.000
C78H124N24O23
777.000
3760.000
-10.400
125
25
27
56
InChI=1S/C78H124N24O23/c1-8-40(6)62(100-69(116)49(30-38(2)3)94-70(117)54(36-103)98-66(113)50(31-42-18-20-44(104)21-19-42)96-73(120)61(39(4)5)99-64(111)45(80)22-24-57(81)105)74(121)91-47(15-11-27-87-78(84)85)75(122)101-28-13-17-56(101)72(119)95-52(33-58(82)106)68(115)90-46(23-25-60(108)109)65(112)97-53(34-59(83)107)76(123)102-29-12-16-55(102)71(118)89-41(7)63(110)93-51(32-43-35-86-37-88-43)67(114)92-48(77(124)125)14-9-10-26-79/h18-21,35,37-41,45-56,61-62,103-104H,8-17,22-34,36,79-80H2,1-7H3,(H2,81,105)(H2,82,106)(H2,83,107)(H,86,88)(H,89,118)(H,90,115)(H,91,121)(H,92,114)(H,93,110)(H,94,117)(H,95,119)(H,96,120)(H,97,112)(H,98,113)(H,99,111)(H,100,116)(H,108,109)(H,124,125)(H4,84,85,87)/t40-,41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-/m0/s1
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)N
CCC(C)C(C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CC3=CNC=N3)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)N)N
SWHBCTOEXBVIJH-WRZXUNLISA-N
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-5-carbamimidamido-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]hexanoic acid
1764.93
1764.93
0
1
0
16
16
0
0
0
0
0
0
0
2D
null
null
0
null
20231008
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
168510674
Influenza A NP (366-374)
Influenza A NP (366-374)|HY-P5501|CS-0884414
982.100
C36H59N11O17S2
528.000
1790.000
-9.200
66
15
20
33
InChI=1S/C36H59N11O17S2/c1-15(37)28(55)47-23(14-48)35(62)45-21(12-25(39)50)33(60)41-17(5-6-26(51)52)30(57)44-20(11-24(38)49)34(61)42-18(7-9-65-3)31(58)46-22(13-27(53)54)32(59)40-16(2)29(56)43-19(36(63)64)8-10-66-4/h15-23,48H,5-14,37H2,1-4H3,(H2,38,49)(H2,39,50)(H,40,59)(H,41,60)(H,42,61)(H,43,56)(H,44,57)(H,45,62)(H,46,58)(H,47,55)(H,51,52)(H,53,54)(H,63,64)/t15-,16-,17-,18-,19-,20-,21-,22-,23-/m0/s1
C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)O)N
CC(C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CCSC)C(=O)O)N
GFTXYRPPWCNXKO-NQBGTIOHSA-N
(4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid
981.353
981.353
0
1
0
9
9
0
0
0
0
0
0
0
2D
null
null
0
null
20231008
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
71464406
hemagglutinin (332-340) [Influenza A virus]
hemagglutinin (332-340) [Influenza A virus]|AKOS040745204
970.100
C42H75N13O13
435.000
1800.000
-5.500
68
14
15
30
InChI=1S/C42H75N13O13/c1-8-21(5)32(40(66)55-15-11-13-28(55)38(64)52-27(19-56)37(63)54-33(41(67)68)22(6)9-2)53-36(62)26(17-29(43)58)51-34(60)24(12-10-14-47-42(45)46)50-35(61)25(16-20(3)4)49-30(59)18-48-39(65)31(44)23(7)57/h20-28,31-33,56-57H,8-19,44H2,1-7H3,(H2,43,58)(H,48,65)(H,49,59)(H,50,61)(H,51,60)(H,52,64)(H,53,62)(H,54,63)(H,67,68)(H4,45,46,47)
CCC(C)C(C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C(C)O)N
CCC(C)C(C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C(C)O)N
MJWIWVDWJZGQJA-UHFFFAOYSA-N
2-[[2-[[1-[2-[[4-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid
969.561
969.561
0
1
0
11
0
11
0
0
0
0
0
0
2D
null
null
0
null
20130602
AKos Consulting & Solutions|ApexBio Technology|Mcule|MolPort|TargetMol
Chemical Vendors|Legacy Depositors
null
71464407
hemagglutinin precursor (114-122) amide [Influenza A virus]
hemagglutinin precursor (114-122) amide [Influenza A virus]|AKOS040764269
1101.200
C53H68N10O16
420.000
2180.000
-2.100
79
13
17
26
InChI=1S/C53H68N10O16/c1-27(2)44(53(79)63-21-5-7-41(63)51(77)60-38(25-42(67)68)48(74)57-36(46(72)56-28(3)45(55)71)23-30-10-16-33(65)17-11-30)61-49(75)39(26-43(69)70)58-47(73)37(24-31-12-18-34(66)19-13-31)59-50(76)40-6-4-20-62(40)52(78)35(54)22-29-8-14-32(64)15-9-29/h8-19,27-28,35-41,44,64-66H,4-7,20-26,54H2,1-3H3,(H2,55,71)(H,56,72)(H,57,74)(H,58,73)(H,59,76)(H,60,77)(H,61,75)(H,67,68)(H,69,70)
CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4CCCN4C(=O)C(CC5=CC=C(C=C5)O)N
CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4CCCN4C(=O)C(CC5=CC=C(C=C5)O)N
HDADJJYHFITZNM-UHFFFAOYSA-N
3-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
1100.48
1100.48
0
1
0
9
0
9
0
0
0
0
0
0
2D
null
null
0
null
20130602
AKos Consulting & Solutions|ApexBio Technology|Mcule|MolPort|TargetMol
Chemical Vendors|Legacy Depositors
null
122706072
keto-cis-mycolate (M. tuberculosis)
keto-cis-mycolate (M. tuberculosis)|keto-cis-mycolic acid (M. tuberculosis)
1209.100
C82H159O4-
77.400
1320.000
38.800
86
1
4
75
InChI=1S/C82H160O4/c1-4-6-8-10-12-14-16-18-20-22-23-24-25-29-36-42-48-54-60-66-72-79(82(85)86)81(84)74-68-62-56-50-44-38-30-26-28-34-40-46-52-58-64-70-77-75-78(77)71-65-59-53-47-41-35-31-32-37-43-49-55-61-67-73-80(83)76(3)69-63-57-51-45-39-33-27-21-19-17-15-13-11-9-7-5-2/h76-79,81,84H,4-75H2,1-3H3,(H,85,86)/p-1/t76-,77?,78?,79+,81+/m0/s1
CCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(=O)[C@@H](C)CCCCCCCCCCCCCCCCCC)O)C(=O)[O-]
CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)C(=O)[O-]
TWLOFRDXDXQZKV-AQBSLDRCSA-M
(2R)-2-[(1R)-1-hydroxy-18-[2-[(18S)-18-methyl-17-oxohexatriacontyl]cyclopropyl]octadecyl]tetracosanoate
1208.22
1208.22
-1
1
0
5
3
2
0
0
0
0
0
0
2D
null
null
0
null
20161209
BioCyc
Curation Efforts|Subscription Services
null
122706610
keto-trans-mycolate (M. tuberculosis)
keto-trans-mycolate (M. tuberculosis)|keto-trans-mycolic acid (M. tuberculosis)
1237.200
C84H163O4-
77.400
1370.000
39.600
88
1
4
76
InChI=1S/C84H164O4/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-30-37-43-49-55-61-67-73-80(84(87)88)83(86)75-69-63-57-51-45-39-31-27-29-36-42-48-54-60-66-72-79-76-81(79)77(3)70-64-58-52-46-40-34-32-33-38-44-50-56-62-68-74-82(85)78(4)71-65-59-53-47-41-35-28-22-20-18-16-14-12-10-8-6-2/h77-81,83,86H,5-76H2,1-4H3,(H,87,88)/p-1/t77?,78-,79?,80+,81?,83+/m0/s1
CCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(=O)[C@@H](C)CCCCCCCCCCCCCCCCCC)O)C(=O)[O-]
CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)C(=O)[O-]
UHBGKNGLRRTZCM-PVBFHGLCSA-M
(2R)-2-[(1R)-1-hydroxy-18-[2-[(20S)-20-methyl-19-oxooctatriacontan-2-yl]cyclopropyl]octadecyl]tetracosanoate
1236.26
1236.26
-1
1
0
6
3
3
0
0
0
0
0
0
2D
null
null
0
null
20161209
BioCyc
Curation Efforts|Subscription Services
null
122706437
methoxy-cis-mycolate (M. tuberculosis)
methoxy-cis-mycolate (M. tuberculosis)|methoxy-cis-mycolic acid (M. tuberculosis)
1267.300
C86H169O4-
69.600
1360.000
41.100
90
1
4
78
InChI=1S/C86H170O4/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-32-36-44-50-56-62-68-74-83(86(88)89)84(87)75-69-63-57-51-45-37-33-29-28-31-35-42-48-54-60-66-72-81-78-82(81)73-67-61-55-49-43-39-38-40-46-52-58-64-70-79(3)76-77-85(90-5)80(4)71-65-59-53-47-41-34-30-23-21-19-17-15-13-11-9-7-2/h79-85,87H,6-78H2,1-5H3,(H,88,89)/p-1/t79?,80-,81?,82?,83+,84+,85-/m0/s1
CCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC(C)CC[C@@H]([C@@H](C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)[O-]
CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC(C)CCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)[O-]
KDYXEOJBERYEPR-MZVGKBSZSA-M
(2R)-2-[(1R)-1-hydroxy-19-[2-[(18S,19S)-18-methoxy-15,19-dimethylheptatriacontyl]cyclopropyl]nonadecyl]tetracosanoate
1266.3
1266.3
-1
1
0
7
4
3
0
0
0
0
0
0
2D
null
null
0
null
20161209
BioCyc
Curation Efforts|Subscription Services
null
118705297
Chondroitin sulfate A, from beef trachea
Chondroitin sulfate A, from beef trachea|C-5920
1225.000
C36H56O40S3
685.000
2450.000
-13.900
79
20
40
19
InChI=1S/C36H56O40S3/c37-1-4-25(77(57,58)59)19(14(47)31(56)66-4)71-33-12(45)9(42)17(23(75-33)29(52)53)69-36-16(49)21(27(79(63,64)65)6(3-39)68-36)73-34-13(46)10(43)18(24(76-34)30(54)55)70-35-15(48)20(26(78(60,61)62)5(2-38)67-35)72-32-11(44)7(40)8(41)22(74-32)28(50)51/h4-27,31-49,56H,1-3H2,(H,50,51)(H,52,53)(H,54,55)(H,57,58,59)(H,60,61,62)(H,63,64,65)/t4-,5-,6-,7+,8+,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,19-,20-,21-,22+,23+,24+,25+,26+,27+,31-,32-,33-,34-,35+,36+/m1/s1
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)S(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)S(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O)O)O)O)O)O)S(=O)(=O)O)O
C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)S(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)OC5C(C(C(C(O5)CO)S(=O)(=O)O)OC6C(C(C(C(O6)C(=O)O)O)O)O)O)O)O)O)O)O)S(=O)(=O)O)O
BMMGISACLQGPRJ-SWKPSYQFSA-N
(2S,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6R)-2-[(2S,3S,4R,5R,6S)-2-carboxy-6-[(2R,3R,4R,5S,6R)-2-[(2S,3S,4R,5R,6S)-2-carboxy-6-[(2R,3R,4R,5S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-5-sulfooxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
1224.15
1224.15
0
1
0
30
30
0
0
0
0
0
0
0
2D
null
null
0
null
20160308
Biosynth|GlyTouCan Project
Chemical Vendors|Research and Development
null
122706356
hydroxy-trans-mycolate (M. tuberculosis)
hydroxy-trans-mycolate (M. tuberculosis)|hydroxy-trans-mycolic acid (M. tuberculosis)
1239.200
C84H165O4-
80.600
1330.000
40.000
88
2
4
76
InChI=1S/C84H166O4/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-30-37-43-49-55-61-67-73-80(84(87)88)83(86)75-69-63-57-51-45-39-31-27-29-36-42-48-54-60-66-72-79-76-81(79)77(3)70-64-58-52-46-40-34-32-33-38-44-50-56-62-68-74-82(85)78(4)71-65-59-53-47-41-35-28-22-20-18-16-14-12-10-8-6-2/h77-83,85-86H,5-76H2,1-4H3,(H,87,88)/p-1/t77?,78-,79?,80+,81?,82-,83+/m0/s1
CCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCC[C@@H]([C@@H](C)CCCCCCCCCCCCCCCCCC)O)O)C(=O)[O-]
CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)O)O)C(=O)[O-]
YTDPGVZFXDDCKQ-BCHPWMMUSA-M
(2R)-2-[(1R)-1-hydroxy-18-[2-[(19S,20S)-19-hydroxy-20-methyloctatriacontan-2-yl]cyclopropyl]octadecyl]tetracosanoate
1238.27
1238.27
-1
1
0
7
4
3
0
0
0
0
0
0
2D
null
null
0
null
20161209
BioCyc
Curation Efforts|Subscription Services
null
122706427
methoxy-trans-mycolate (M. tuberculosis)
methoxy-trans-mycolate (M. tuberculosis)|methoxy-trans-mycolic acid (M. tuberculosis)
1253.200
C85H167O4-
69.600
1340.000
40.500
89
1
4
77
InChI=1S/C85H168O4/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-31-38-44-50-56-62-68-74-81(85(87)88)83(86)75-69-63-57-51-45-39-32-28-30-37-43-49-55-61-67-73-80-77-82(80)78(3)71-65-59-53-47-41-35-33-34-40-46-52-58-64-70-76-84(89-5)79(4)72-66-60-54-48-42-36-29-23-21-19-17-15-13-11-9-7-2/h78-84,86H,6-77H2,1-5H3,(H,87,88)/p-1/t78?,79-,80?,81+,82?,83+,84-/m0/s1
CCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCC[C@@H]([C@@H](C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)[O-]
CCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)[O-]
HKLXNPORNMTNJJ-GANZWTRISA-M
(2R)-2-[(1R)-1-hydroxy-18-[2-[(19S,20S)-19-methoxy-20-methyloctatriacontan-2-yl]cyclopropyl]octadecyl]tetracosanoate
1252.29
1252.29
-1
1
0
7
4
3
0
0
0
0
0
0
2D
null
null
0
null
20161209
BioCyc
Curation Efforts|Subscription Services
null
122706262
alpha-cis/cis-mycolate (M. tuberculosis)
alpha-cis/cis-mycolate (M. tuberculosis)|alpha-cis/cis-mycolic acid (M. tuberculosis)
1165.100
C80H155O3-
60.400
1260.000
39.300
83
1
3
72
InChI=1S/C80H156O3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-40-46-52-58-64-70-78(80(82)83)79(81)71-65-59-53-47-41-35-39-45-51-57-63-69-77-73-76(77)68-62-56-50-44-38-34-33-37-43-49-55-61-67-75-72-74(75)66-60-54-48-42-36-31-29-20-18-16-14-12-10-8-6-4-2/h74-79,81H,3-73H2,1-2H3,(H,82,83)/p-1/t74?,75?,76?,77?,78-,79-/m1/s1
CCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCC)O)C(=O)[O-]
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCC)O)C(=O)[O-]
XFFCDPMTMAKHMF-KOOJLLMASA-M
(2R)-2-[(1R)-1-hydroxy-14-[2-[14-(2-octadecylcyclopropyl)tetradecyl]cyclopropyl]tetradecyl]octacosanoate
1164.2
1164.2
-1
1
0
6
2
4
0
0
0
0
0
0
2D
null
null
0
null
20161209
BioCyc
Curation Efforts|Subscription Services
null
163321903
Tuberculosis inhibitor 4
Tuberculosis inhibitor 4|HY-115900|CS-0432983
410.500
C23H26N2O3S
94.900
593.000
4.100
29
2
4
3
InChI=1S/C23H26N2O3S/c1-16-22(28)25(24-21(27)20(26)19-10-6-3-7-11-19)23(29-16)14-12-18(13-15-23)17-8-4-2-5-9-17/h2-11,16,18,20,26H,12-15H2,1H3,(H,24,27)
CC1C(=O)N(C2(S1)CCC(CC2)C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)O
CC1C(=O)N(C2(S1)CCC(CC2)C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)O
YDRKMAFJRIZGJR-UHFFFAOYSA-N
2-hydroxy-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]decan-4-yl)-2-phenylacetamide
410.166
410.166
0
1
0
2
0
2
0
0
0
0
0
0
2D
null
null
0
null
20220602
AbaChemScene|BLD Pharm|MedChemexpress MCE
Chemical Vendors
null
163409124
Tuberculosis inhibitor 5
Tuberculosis inhibitor 5|HY-146348|CS-0498442
410.500
C25H18N2O2S
89.200
798.000
3.400
30
1
4
4
InChI=1S/C25H18N2O2S/c1-30(29)24-21(16-26)25(28)27-23(20-10-6-3-7-11-20)22(24)19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15H,1H3,(H,27,28)
CS(=O)C1=C(C(=O)NC(=C1C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N
CS(=O)C1=C(C(=O)NC(=C1C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N
NKTJEOSUIXRMAP-UHFFFAOYSA-N
4-methylsulfinyl-2-oxo-6-phenyl-5-(4-phenylphenyl)-1H-pyridine-3-carbonitrile
410.109
410.109
0
1
0
1
0
1
0
0
0
0
0
0
null
null
null
0
null
20220630
AbaChemScene|BLD Pharm|MedChemexpress MCE
Chemical Vendors
null
131846753
Influenza HA (110-119)
Influenza HA (110-119)|HY-P2520|AKOS040756642|CS-0135064
1299.500
C63H90N14O16
502.000
2500.000
-4.700
93
16
19
41
InChI=1S/C63H90N14O16/c1-3-37(2)52(60(90)75-48(35-40-21-11-6-12-22-40)61(91)77-32-16-25-49(77)59(89)72-45(62(92)93)23-13-14-30-64)76-56(86)44(27-29-51(81)82)71-58(88)47(34-39-19-9-5-10-20-39)74-54(84)42(24-15-31-68-63(66)67)69-55(85)43(26-28-50(79)80)70-57(87)46(73-53(83)41(65)36-78)33-38-17-7-4-8-18-38/h4-12,17-22,37,41-49,52,78H,3,13-16,23-36,64-65H2,1-2H3,(H,69,85)(H,70,87)(H,71,88)(H,72,89)(H,73,83)(H,74,84)(H,75,90)(H,76,86)(H,79,80)(H,81,82)(H,92,93)(H4,66,67,68)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)N
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CO)N
FHSXFRYTKCQUEF-RRPLTWKWSA-N
(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
1298.67
1298.67
0
1
0
11
11
0
0
0
0
0
0
0
2D
null
null
0
null
20171218
AbaChemScene|AKos Consulting & Solutions|Chemieliva Pharmaceutical Co., Ltd|Key Organics/BIONET|Mcule|MedChemexpress MCE
Chemical Vendors|Legacy Depositors
null
166642368
Influenza virus-IN-6
Influenza virus-IN-6|HY-152078|CS-0634319
511.900
C27H26ClNO7
128.000
768.000
5.000
36
4
7
7
InChI=1S/C27H26ClNO7/c1-2-9-36-27(35)21-12-16-13-24(32)25(33)14-18(16)20(10-15-7-8-22(30)23(31)11-15)29(21)26(34)17-5-3-4-6-19(17)28/h3-8,11,13-14,20-21,30-33H,2,9-10,12H2,1H3/t20-,21-/m0/s1
CCCOC(=O)[C@@H]1CC2=CC(=C(C=C2[C@@H](N1C(=O)C3=CC=CC=C3Cl)CC4=CC(=C(C=C4)O)O)O)O
CCCOC(=O)C1CC2=CC(=C(C=C2C(N1C(=O)C3=CC=CC=C3Cl)CC4=CC(=C(C=C4)O)O)O)O
SSMFUXFMRDLBDG-SFTDATJTSA-N
propyl (1S,3S)-2-(2-chlorobenzoyl)-1-[(3,4-dihydroxyphenyl)methyl]-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylate
511.14
511.14
0
1
0
2
2
0
0
0
0
0
0
0
null
null
null
0
null
20230316
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
164517114
Anti-Influenza agent 3
Anti-Influenza agent 3|HY-147881|CS-0529831
311.900
C16H22ClNOS
60.800
425.000
6.100
20
1
3
2
InChI=1S/C16H22ClNOS/c1-8-5-13(20-15(8)17)14(18-19)11-6-10-7-12(9(11)2)16(10,3)4/h5,9-12,19H,6-7H2,1-4H3/b18-14+/t9-,10+,11+,12+/m0/s1
C[C@H]1[C@@H](C[C@@H]2C[C@H]1C2(C)C)/C(=N\O)/C3=CC(=C(S3)Cl)C
CC1C(CC2CC1C2(C)C)C(=NO)C3=CC(=C(S3)Cl)C
CUEYIPMVEFAUPI-CFTOJUNOSA-N
(NE)-N-[(5-chloro-4-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methylidene]hydroxylamine
311.111
311.111
0
1
0
4
4
0
1
1
0
0
0
0
3D
null
null
0
null
20220727
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
169450113
Anti-Influenza agent 5
Anti-Influenza agent 5|HY-156288|CS-0898554
379.400
C23H25NO4
48.000
521.000
3.800
28
0
5
7
InChI=1S/C23H25NO4/c1-26-22-4-3-5-23(27-2)21(22)13-12-20(25)11-8-18-6-9-19(10-7-18)24-14-16-28-17-15-24/h3-13H,14-17H2,1-2H3/b11-8+,13-12+
COC1=C(C(=CC=C1)OC)/C=C/C(=O)/C=C/C2=CC=C(C=C2)N3CCOCC3
COC1=C(C(=CC=C1)OC)C=CC(=O)C=CC2=CC=C(C=C2)N3CCOCC3
UAFLPTJINUVNNC-OWKCIBLPSA-N
(1E,4E)-1-(2,6-dimethoxyphenyl)-5-(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
379.178
379.178
0
1
0
0
0
0
2
2
0
0
0
0
2D
null
null
0
null
20231214
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
162678816
NS2 (114-121), Influenza
NS2 (114-121), Influenza|HY-P2521|AKOS040757095|CS-0135065|184763-32-4
1011.200
C48H74N12O12
415.000
1820.000
-3.000
72
14
14
32
InChI=1S/C48H74N12O12/c1-6-27(4)38(47(71)72)59-44(68)33(22-26(2)3)55-41(65)32(19-20-37(50)63)54-42(66)34(23-29-14-9-7-10-15-29)56-45(69)36(25-61)58-43(67)35(24-30-16-11-8-12-17-30)57-46(70)39(28(5)62)60-40(64)31(49)18-13-21-53-48(51)52/h7-12,14-17,26-28,31-36,38-39,61-62H,6,13,18-25,49H2,1-5H3,(H2,50,63)(H,54,66)(H,55,65)(H,56,69)(H,57,70)(H,58,67)(H,59,68)(H,60,64)(H,71,72)(H4,51,52,53)/t27-,28+,31-,32-,33-,34-,35-,36-,38-,39-/m0/s1
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCN=C(N)N)N
CCC(C)C(C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)O)NC(=O)C(CCCN=C(N)N)N
YULHIMSWVOYUSX-YCEUMREUSA-N
(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid
1010.55
1010.55
0
1
0
10
10
0
0
0
0
0
0
0
2D
null
null
0
null
20220324
AbaChemScene|AKos Consulting & Solutions|MedChemexpress MCE
Chemical Vendors
null
169450153
Tuberculosis inhibitor 10
Tuberculosis inhibitor 10|HY-156359|CS-0899631
395.400
C21H21N3O5
106.000
614.000
1.300
29
1
6
9
InChI=1S/C21H21N3O5/c1-29-21(28)17(24-19(26)15-8-2-3-9-16(15)20(24)27)12-18(25)23-11-5-7-14-6-4-10-22-13-14/h2-4,6,8-10,13,17H,5,7,11-12H2,1H3,(H,23,25)
COC(=O)C(CC(=O)NCCCC1=CN=CC=C1)N2C(=O)C3=CC=CC=C3C2=O
COC(=O)C(CC(=O)NCCCC1=CN=CC=C1)N2C(=O)C3=CC=CC=C3C2=O
GVCLTDFENOELII-UHFFFAOYSA-N
methyl 2-(1,3-dioxoisoindol-2-yl)-4-oxo-4-(3-pyridin-3-ylpropylamino)butanoate
395.148
395.148
0
1
0
1
0
1
0
0
0
0
0
0
2D
null
null
0
null
20231214
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
169450155
Tuberculosis inhibitor 11
Tuberculosis inhibitor 11|HY-156361|CS-0899659
571.600
C29H37N3O9
157.000
1030.000
1.900
41
2
9
14
InChI=1S/C29H37N3O9/c1-6-18(7-2)41-23-14-17(28(37)40-8-3)13-21(25(23)30-16(4)33)31-24(34)15-22(29(38)39-5)32-26(35)19-11-9-10-12-20(19)27(32)36/h9-12,14,18,21-23,25H,6-8,13,15H2,1-5H3,(H,30,33)(H,31,34)/t21-,22?,23+,25+/m0/s1
CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)NC(=O)CC(C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC
CCC(CC)OC1C=C(CC(C1NC(=O)C)NC(=O)CC(C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O)C(=O)OCC
MUHNBAQOZIQXBK-XCZUPJPTSA-N
ethyl (3R,4R,5S)-4-acetamido-5-[[3-(1,3-dioxoisoindol-2-yl)-4-methoxy-4-oxobutanoyl]amino]-3-pentan-3-yloxycyclohexene-1-carboxylate
571.253
571.253
0
1
0
4
3
1
0
0
0
0
0
0
2D
null
null
0
null
20231214
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
16369285
6-(Pyrrolidin-1-ylmethyl)phenanthridine
SARS-CoV-2-IN-82|AKOS034675095|CCG-319791|HY-157848|CS-0999691|Z90176366
262.300
C18H18N2
16.100
323.000
3.800
20
0
2
2
InChI=1S/C18H18N2/c1-2-9-16-14(7-1)15-8-3-4-10-17(15)19-18(16)13-20-11-5-6-12-20/h1-4,7-10H,5-6,11-13H2
C1CCN(C1)CC2=NC3=CC=CC=C3C4=CC=CC=C42
C1CCN(C1)CC2=NC3=CC=CC=C3C4=CC=CC=C42
JICOMUMICKFCGM-UHFFFAOYSA-N
6-(pyrrolidin-1-ylmethyl)phenanthridine
262.147
262.147
0
1
0
0
0
0
0
0
0
0
0
0
2D+3D
null
null
0
null
20070730
AbaChemScene|AKos Consulting & Solutions|Ambinter|Aurora Fine Chemicals LLC|Center for Chemical Genomics, University of Michigan|ChemSpider|DiscoveryGate|Enamine|MedChemexpress MCE|ZINC
Chemical Vendors|Legacy Depositors|Research and Development|Subscription Services
null
171037952
[1-(4-methoxyphenyl)triazol-4-yl]methyl (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylate
SARS-CoV-2-IN-83|HY-162295|CS-1005641
699.900
C42H57N3O6
110.000
1430.000
8.500
51
0
8
8
InChI=1S/C42H57N3O6/c1-25-14-17-38(4)20-21-40(6)31(35(38)26(25)2)22-32(47)36-39(5)18-16-34(51-27(3)46)42(8,33(39)15-19-41(36,40)7)37(48)50-24-28-23-45(44-43-28)29-10-12-30(49-9)13-11-29/h10-13,22-23,25-26,33-36H,14-21,24H2,1-9H3/t25-,26+,33?,34-,35+,36?,38-,39+,40-,41-,42-/m1/s1
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)C4[C@]3(CCC5[C@@]4(CC[C@H]([C@]5(C)C(=O)OCC6=CN(N=N6)C7=CC=C(C=C7)OC)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C
CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)OCC6=CN(N=N6)C7=CC=C(C=C7)OC)OC(=O)C)C)C)C2C1C)C)C
BQAWVDIHVOMGKV-SPIVZMAUSA-N
[1-(4-methoxyphenyl)triazol-4-yl]methyl (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylate
699.425
699.425
0
1
0
11
9
2
0
0
0
0
0
0
null
null
null
0
null
20240403
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
18569226
N-(4-{2-methyl-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-3-yl}phenyl)-[1,1'-biphenyl]-4-carboxamide
1005304-44-8|SARS-CoV-2 nsp13-IN-1|N-(4-{2-methyl-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-3-yl}phenyl)-[1,1'-biphenyl]-4-carboxamide|AKOS004955574|HY-150622|CS-0534890|F2224-0065|N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-phenylbenzamide|N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3(4H)-yl)phenyl]biphenyl-4-carboxamide|N-(4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3(4H)-yl)phenyl)-[1,1'-biphenyl]-4-carboxamide
432.500
C27H20N4O2
74.700
730.000
4.200
33
1
4
4
InChI=1S/C27H20N4O2/c1-18-29-25-24(8-5-17-28-25)27(33)31(18)23-15-13-22(14-16-23)30-26(32)21-11-9-20(10-12-21)19-6-3-2-4-7-19/h2-17H,1H3,(H,30,32)
CC1=NC2=C(C=CC=N2)C(=O)N1C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5
CC1=NC2=C(C=CC=N2)C(=O)N1C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5
YQMFYRIEVDLXHD-UHFFFAOYSA-N
N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-phenylbenzamide
432.159
432.159
0
1
0
0
0
0
0
0
0
0
0
0
2D+3D
null
null
0
null
20071204
A2B Chem|AA BLOCKS|AbaChemScene|AKos Consulting & Solutions|Ambinter|BenchChem|BOC Sciences|ChemDiv|ChemSpider|DiscoveryGate|eMolecules|Life Chemicals|Mcule|MedChemexpress MCE|MolPort|ZINC
Chemical Vendors|Legacy Depositors|Research and Development|Subscription Services
null
9897774
Influenza HA (518-526)
Influenza HA (518-526)|HY-P1837|CS-0096564
940.000
C42H69N9O15
397.000
1650.000
-4.800
66
15
16
28
InChI=1S/C42H69N9O15/c1-9-21(6)31(43)39(62)45-26(15-24-10-12-25(56)13-11-24)35(58)48-30(18-54)38(61)51-33(23(8)55)41(64)50-32(20(4)5)40(63)44-22(7)34(57)47-28(16-52)37(60)49-29(17-53)36(59)46-27(42(65)66)14-19(2)3/h10-13,19-23,26-33,52-56H,9,14-18,43H2,1-8H3,(H,44,63)(H,45,62)(H,46,59)(H,47,57)(H,48,58)(H,49,60)(H,50,64)(H,51,61)(H,65,66)/t21-,22-,23+,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)N
CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)O)N
HPOMZIOCDIYOTE-JRCYYVIGSA-N
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
939.491
939.491
0
1
0
11
11
0
0
0
0
0
0
0
2D
null
null
0
null
20061025
AbaChemScene|ChemSpider|DiscoveryGate|MedChemexpress MCE|NextBio|Thomson Pharma
Chemical Vendors|Journal Publishers|Legacy Depositors|Research and Development|Subscription Services
null
18568483
3-Bromo-N-(4-{7-methylimidazo[1,2-A]pyrimidin-2-YL}phenyl)benzamide
SARS-CoV-2 nsp13-IN-4|3-bromo-N-(4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide|3-BROMO-N-(4-{7-METHYLIMIDAZO[1,2-A]PYRIMIDIN-2-YL}PHENYL)BENZAMIDE|MFCD08535835|AKOS004952345|923140-39-0|HY-150625|CS-0534897|F2206-0115
407.300
C20H15BrN4O
59.300
496.000
4.700
26
1
3
3
InChI=1S/C20H15BrN4O/c1-13-9-10-25-12-18(24-20(25)22-13)14-5-7-17(8-6-14)23-19(26)15-3-2-4-16(21)11-15/h2-12H,1H3,(H,23,26)
CC1=NC2=NC(=CN2C=C1)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Br
CC1=NC2=NC(=CN2C=C1)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Br
JJNZRWKEVHQYEP-UHFFFAOYSA-N
3-bromo-N-[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
406.043
406.043
0
1
0
0
0
0
0
0
0
0
0
0
2D+3D
null
null
0
null
20071204
AbaChemScene|AKos Consulting & Solutions|BLD Pharm|BOC Sciences|ChemDiv|ChemSpider|DiscoveryGate|Life Chemicals|Mcule|MedChemexpress MCE|MolPort|ZINC
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null
135546028
2-{6-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-1-(4-methylphenyl)guanidine
SARS-CoV-2 nsp13-IN-2|2-{6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-1-(4-methylphenyl)guanidine|STK263393|STK326583|AKOS001682765|AKOS002305220|1-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}-3-(4-methylphenyl)guanidine|HY-150623|CS-0534892|(E)-N''-{6-[(1,3-BENZOTHIAZOL-2-YLSULFANYL)METHYL]-4-OXO-1,4-DIHYDROPYRIMIDIN-2-YL}-N-(4-METHYLPHENYL)GUANIDINE|N''-{6-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1,4-dihydropyrimidin-2-yl}-N-(4-methylphenyl)guanidine
422.500
C20H18N6OS2
158.000
701.000
3.300
29
3
5
6
InChI=1S/C20H18N6OS2/c1-12-6-8-13(9-7-12)22-18(21)26-19-23-14(10-17(27)25-19)11-28-20-24-15-4-2-3-5-16(15)29-20/h2-10H,11H2,1H3,(H4,21,22,23,25,26,27)
CC1=CC=C(C=C1)N/C(=N/C2=NC(=CC(=O)N2)CSC3=NC4=CC=CC=C4S3)/N
CC1=CC=C(C=C1)NC(=NC2=NC(=CC(=O)N2)CSC3=NC4=CC=CC=C4S3)N
DNQBBFZKWCDKDV-UHFFFAOYSA-N
2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(4-methylphenyl)guanidine
422.098
422.098
0
1
0
0
0
0
1
1
0
0
0
0
2D+3D
null
null
0
null
20190115
AbaChemScene|ABI Chem|AKos Consulting & Solutions|Ambinter|Aurora Fine Chemicals LLC|ChemDiv|DiscoveryGate|Innovapharm|LabNetwork, a WuXi AppTec Company|MedChemexpress MCE|MolPort|NextBio|TimTec|Vitas-M Laboratory
Chemical Vendors|Legacy Depositors|Subscription Services
null
168510664
Influenza virus PA (46-54)
Influenza virus PA (46-54)|HY-P5478|CS-0884130
1206.400
C60H75N11O14S
428.000
2210.000
0.800
86
14
17
35
InChI=1S/C60H75N11O14S/c1-4-35(2)51(60(84)85)71-58(82)46(28-38-18-12-7-13-19-38)67-56(80)47(30-40-32-62-34-63-40)68-54(78)44(27-37-16-10-6-11-17-37)66-57(81)48(31-50(74)75)69-59(83)49(33-72)70-55(79)45(29-39-20-22-41(73)23-21-39)65-53(77)43(24-25-86-3)64-52(76)42(61)26-36-14-8-5-9-15-36/h5-23,32,34-35,42-49,51,72-73H,4,24-31,33,61H2,1-3H3,(H,62,63)(H,64,76)(H,65,77)(H,66,81)(H,67,80)(H,68,78)(H,69,83)(H,70,79)(H,71,82)(H,74,75)(H,84,85)/t35-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CC=CC=C5)N
CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CCSC)NC(=O)C(CC5=CC=CC=C5)N
CEIPGWMEAZJZCE-AOICGZKUSA-N
(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoic acid
1205.52
1205.52
0
1
0
10
10
0
0
0
0
0
0
0
2D
null
null
0
null
20231008
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
168013088
Influenza HA (110-119) acetate
Influenza HA (110-119) acetate|AKOS040756643|TS-08903
1359.500
C65H94N14O18
539.000
2540.000
null
97
17
21
41
InChI=1S/C63H90N14O16.C2H4O2/c1-3-37(2)52(60(90)75-48(35-40-21-11-6-12-22-40)61(91)77-32-16-25-49(77)59(89)72-45(62(92)93)23-13-14-30-64)76-56(86)44(27-29-51(81)82)71-58(88)47(34-39-19-9-5-10-20-39)74-54(84)42(24-15-31-68-63(66)67)69-55(85)43(26-28-50(79)80)70-57(87)46(73-53(83)41(65)36-78)33-38-17-7-4-8-18-38;1-2(3)4/h4-12,17-22,37,41-49,52,78H,3,13-16,23-36,64-65H2,1-2H3,(H,69,85)(H,70,87)(H,71,88)(H,72,89)(H,73,83)(H,74,84)(H,75,90)(H,76,86)(H,79,80)(H,81,82)(H,92,93)(H4,66,67,68);1H3,(H,3,4)/t37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,52-;/m0./s1
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)N.CC(=O)O
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CO)N.CC(=O)O
WGWVKTAKQPOABF-OWRVGLOUSA-N
acetic acid;(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
1358.69
1358.69
0
2
0
11
11
0
0
0
0
0
0
0
2D
null
null
0
null
20230517
AKos Consulting & Solutions|Key Organics/BIONET|Mcule
Chemical Vendors
null
171037902
(2S,4R)-1-[(2S)-2-[[4-[4-[2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethyl]piperazin-1-yl]-1-hydroxy-4-oxobutyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
PROTAC SARS-CoV-2 Mpro degrader-1|HY-157804|CS-0999098
997.600
C52H65ClN8O8S
227.000
1770.000
5.600
70
5
12
18
InChI=1S/C52H65ClN8O8S/c1-31(34-8-10-35(11-9-34)47-32(2)55-30-70-47)56-49(66)43-26-38(62)29-60(43)51(68)48(52(4,5)6)57-44(63)18-19-46(65)59-24-22-58(23-25-59)21-20-54-45(64)28-40-33(3)61(42-17-16-39(69-7)27-41(40)42)50(67)36-12-14-37(53)15-13-36/h8-17,27,30-31,38,43-44,48,57,62-63H,18-26,28-29H2,1-7H3,(H,54,64)(H,56,66)/t31-,38+,43-,44?,48+/m0/s1
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(CCC(=O)N4CCN(CC4)CCNC(=O)CC5=C(N(C6=C5C=C(C=C6)OC)C(=O)C7=CC=C(C=C7)Cl)C)O)O
CC1=C(SC=N1)C2=CC=C(C=C2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(CCC(=O)N4CCN(CC4)CCNC(=O)CC5=C(N(C6=C5C=C(C=C6)OC)C(=O)C7=CC=C(C=C7)Cl)C)O)O
XHUUQGCGQBGRQV-GKZFWUSVSA-N
(2S,4R)-1-[(2S)-2-[[4-[4-[2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethyl]piperazin-1-yl]-1-hydroxy-4-oxobutyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
996.433
996.433
0
1
0
5
4
1
0
0
0
0
0
0
null
null
null
0
null
20240403
AbaChemScene|MedChemexpress MCE
Chemical Vendors
null
78404212
CEF8, Influenza Virus NP 383-391
CEF8, Influenza Virus NP 383-391|MK-2206 (2HCl)
1208.400
C54H85N19O13
566.000
2330.000
-6.000
86
20
17
37
InChI=1S/C54H85N19O13/c1-5-27(2)41(49(83)68-37(14-9-21-63-53(58)59)46(80)73-42(29(4)75)50(84)69-38(51(85)86)15-10-22-64-54(60)61)72-43(77)28(3)66-47(81)40(24-31-25-65-35-12-7-6-11-33(31)35)71-48(82)39(23-30-16-18-32(76)19-17-30)70-45(79)36(13-8-20-62-52(56)57)67-44(78)34(55)26-74/h6-7,11-12,16-19,25,27-29,34,36-42,65,74-76H,5,8-10,13-15,20-24,26,55H2,1-4H3,(H,66,81)(H,67,78)(H,68,83)(H,69,84)(H,70,79)(H,71,82)(H,72,77)(H,73,80)(H,85,86)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)
CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)N
CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)N
RSAAOPBSIPAHOK-UHFFFAOYSA-N
2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
1207.66
1207.66
0
1
0
11
0
11
0
0
0
0
0
0
2D
null
null
0
null
20141013
A2B Chem|AA BLOCKS|Mcule|Probes & Drugs portal
Chemical Vendors|Research and Development
null
164887569
Influenza A virus-IN-8
Influenza A virus-IN-8|CS-0566212
2200.500
C104H142N28O24S
841.000
4840.000
2.400
157
30
28
30
InChI=1S/C104H142N28O24S/c1-51(2)32-70-92(145)117-55(9)88(141)132-87(57(11)134)103(156)127-77(39-63-44-109-50-116-63)96(149)122-75(37-61-42-112-68-25-18-16-23-66(61)68)99(152)131-85(54(7)8)101(154)128-79(90(143)113-45-80(105)136)47-157-48-82(138)118-72(35-59-27-29-64(135)30-28-59)98(151)130-84(53(5)6)100(153)125-71(33-52(3)4)93(146)120-73(34-58-20-13-12-14-21-58)94(147)119-69(26-19-31-110-104(106)107)91(144)121-74(36-60-41-111-67-24-17-15-22-65(60)67)95(148)124-78(40-83(139)140)97(150)123-76(38-62-43-108-49-115-62)89(142)114-46-81(137)129-86(56(10)133)102(155)126-70/h12-18,20-25,27-30,41-44,49-57,69-79,84-87,111-112,133-135H,19,26,31-40,45-48H2,1-11H3,(H2,105,136)(H,108,115)(H,109,116)(H,113,143)(H,114,142)(H,117,145)(H,118,138)(H,119,147)(H,120,146)(H,121,144)(H,122,149)(H,123,150)(H,124,148)(H,125,153)(H,126,155)(H,127,156)(H,128,154)(H,129,137)(H,130,151)(H,131,152)(H,132,141)(H,139,140)(H4,106,107,110)/t55-,56+,57+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-,85-,86-,87-/m0/s1
C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)[C@@H](C)O)CC2=CN=CN2)CC(=O)O)CC3=CNC4=CC=CC=C43)CCCNC(=N)N)CC5=CC=CC=C5)CC(C)C)C(C)C)CC6=CC=C(C=C6)O)C(=O)NCC(=O)N)C(C)C)CC7=CNC8=CC=CC=C87)CC9=CN=CN9)[C@@H](C)O
CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)O)CC2=CN=CN2)CC(=O)O)CC3=CNC4=CC=CC=C43)CCCNC(=N)N)CC5=CC=CC=C5)CC(C)C)C(C)C)CC6=CC=C(C=C6)O)C(=O)NCC(=O)N)C(C)C)CC7=CNC8=CC=CC=C87)CC9=CN=CN9)C(C)O
FJIUZCJWHYTFRT-JCYXGJHGSA-N
2-[(5S,8S,11S,14S,17S,20S,23S,26S,32S,35S,38S,41S,44S,47S,50S,53R)-53-[(2-amino-2-oxoethyl)carbamoyl]-14-benzyl-17-(3-carbamimidamidopropyl)-32,41-bis[(1R)-1-hydroxyethyl]-5-[(4-hydroxyphenyl)methyl]-26,44-bis(1H-imidazol-5-ylmethyl)-20,47-bis(1H-indol-3-ylmethyl)-38-methyl-11,35-bis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-heptadecaoxo-8,50-di(propan-2-yl)-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecazacyclotetrapentacont-23-yl]acetic acid
2200.05
2199.05
0
1
0
18
18
0
0
0
0
0
0
0
2D
null
null
0
null
20220905
AbaChemScene
Chemical Vendors
null
168013086
Influenza Matrix Protein (61-72)
Influenza Matrix Protein (61-72)|AKOS040756619|1286245-45-1
1352.500
C63H97N15O18
537.000
2670.000
-3.500
96
18
20
40
InChI=1S/C63H97N15O18/c1-32(2)27-41(71-59(92)50(35(7)80)76-55(88)43(29-38-19-13-10-14-20-38)72-58(91)48(33(3)4)74-54(87)42(68-46(82)30-64)28-37-17-11-9-12-18-37)53(86)77-51(36(8)81)60(93)75-49(34(5)6)61(94)78-26-16-22-45(78)57(90)73-44(31-79)56(89)69-39(23-24-47(83)84)52(85)70-40(62(95)96)21-15-25-67-63(65)66/h9-14,17-20,32-36,39-45,48-51,79-81H,15-16,21-31,64H2,1-8H3,(H,68,82)(H,69,89)(H,70,85)(H,71,92)(H,72,91)(H,73,90)(H,74,87)(H,75,93)(H,76,88)(H,77,86)(H,83,84)(H,95,96)(H4,65,66,67)/t35-,36-,39+,40+,41+,42+,43+,44+,45+,48+,49+,50+,51+/m1/s1
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CN)O
CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)CN
GIVVBUTWDBWZQY-JKAUZBFUSA-N
(4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-5-oxopentanoic acid
1351.71
1351.71
0
1
0
13
13
0
0
0
0
0
0
0
2D
null
null
0
null
20230517
AKos Consulting & Solutions
Chemical Vendors
null
21863495
Cobalt(2+);palladium(2+)
null
165.350
CoPd+4
0.000
0.000
null
2
0
0
0
InChI=1S/Co.Pd/q2*+2
[Co+2].[Pd+2]
[Co+2].[Pd+2]
CXOASYBOYDZFHJ-UHFFFAOYSA-N
cobalt(2+);palladium(2+)
164.837
164.837
4
2
0
0
0
0
0
0
0
0
0
0
2D
null
null
0
null
20071205
ChemSpider
Legacy Depositors|Research and Development
null