Molecule ID: 53477575

IUPAC Name: N-[6-[[5-amino-6-[[5-amino-6-[[5-amino-6-[[1-amino-6-[4-(1H-indol-3-yl)butanoylamino]-1-oxohexan-2-yl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-5-nitrofuran-2-carboxamide

Description: The molecule is a tetrapeptide that consists of [(N(6)-lysyl)-N(6)-lysyl]-lysyl-lysinamide where the two side-chain amino functions are acylated by 4-(indol-3-yl)butanoyl and 6-[(5-nitro-2-furoyl)amino]hexanoyl groups. It is a tetrapeptide, a C-nitro compound, a member of furans and a member of indoles.

SMILES: N=C(O)C(CCCCN=C(O)CCCc1c[nH]c2ccccc12)N=C(O)C(N)CCCCN=C(O)C(N)CCCCN=C(O)C(N)CCCCN=C(O)CCCCCNC(=O)c1ccc([N+](=O)[O-])o1

SELFIES: [N][=C][Branch1][C][O][C][Branch2][Ring1][#Branch2][C][C][C][C][N][=C][Branch1][C][O][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=C][Branch1][C][O][C][Branch1][C][N][C][C][C][C][N][=C][Branch1][C][O][C][Branch1][C][N][C][C][C][C][N][=C][Branch1][C][O][C][Branch1][C][N][C][C][C][C][N][=C][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2]

InChI: InChI=1S/C47H74N12O10/c48-34(17-5-10-26-52-40(60)22-2-1-9-28-56-47(66)39-24-25-42(69-39)59(67)68)44(63)54-29-11-6-18-35(49)45(64)55-30-12-7-19-36(50)46(65)58-38(43(51)62)21-8-13-27-53-41(61)23-14-15-32-31-57-37-20-4-3-16-33(32)37/h3-4,16,20,24-25,31,34-36,38,57H,1-2,5-15,17-19,21-23,26-30,48-50H2,(H2,51,62)(H,52,60)(H,53,61)(H,54,63)(H,55,64)(H,56,66)(H,58,65)

Molecular Properties:
- Polar Surface Area: 371.0 Ų
- LogP: 1.4