Molecule ID: 86290051

IUPAC Name: (2R,3S)-2-[[(2S)-2-[[(2S)-5-[acetyl(oxido)amino]-2-[[(2S)-5-[acetyl(oxido)amino]-2-[[(2S)-5-[acetyl(oxido)amino]-2-aminopentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-[(2R,3R,4R,5R)-5-[(4E)-4-carbamoylimino-3-methyl-2-oxopyrimidin-1-yl]-3,4-dihydroxythiolan-2-yl]-3-hydroxypropanoic acid

Description: The molecule is a hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrialbomycin delta2. It is a conjugate base of a desferrialbomycin delta2.

SMILES: CC(=O)N([O-])CCC[C@H](N=C(O)[C@H](CCCN([O-])C(C)=O)N=C(O)[C@@H](N)CCCN([O-])C(C)=O)C(O)=N[C@@H](CO)C(O)=N[C@@H](C(=O)O)[C@H](O)[C@H]1S[C@@H](n2cc/c(=N\C(=N)O)n(C)c2=O)[C@H](O)[C@H]1O

SELFIES: [C][C][=Branch1][C][=O][N][Branch1][C][O-1][C][C][C][C@H1][Branch2][Ring2][#Branch2][N][=C][Branch1][C][O][C@H1][Branch1][=N][C][C][C][N][Branch1][C][O-1][C][Branch1][C][C][=O][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][C][N][Branch1][C][O-1][C][Branch1][C][C][=O][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][O][=N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][C][O][C@H1][S][C@@H1][Branch2][Ring1][Branch1][N][C][=C][/C][=Branch1][#Branch1][=N][\C][=Branch1][C][=N][O][N][Branch1][C][C][C][Ring1][O][=O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][C][O]

InChI: InChI=1S/C37H57N12O18S/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64/h11,15,20-23,25-29,34,50,54-56H,5-10,12-14,16,38H2,1-4H3,(H2,39,63)(H,40,57)(H,41,58)(H,42,59)(H,44,60)(H,61,62)/q-3/b43-24+/t20-,21-,22-,23-,25+,26-,27+,28+,29+,34+/m0/s1

Molecular Properties:
- Polar Surface Area: 495.0 Ų
- LogP: -9.6