Molecule ID: 53477574

IUPAC Name: N-[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]-5-nitrofuran-2-carboxamide

Description: The molecule is a tripeptide that consists of 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 tripeptide, 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)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][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/C41H62N10O9/c42-30(15-5-9-23-45-35(52)19-2-1-8-25-48-41(57)34-21-22-37(60-34)51(58)59)39(55)47-26-10-6-16-31(43)40(56)50-33(38(44)54)18-7-11-24-46-36(53)20-12-13-28-27-49-32-17-4-3-14-29(28)32/h3-4,14,17,21-22,27,30-31,33,49H,1-2,5-13,15-16,18-20,23-26,42-43H2,(H2,44,54)(H,45,52)(H,46,53)(H,47,55)(H,48,57)(H,50,56)

Molecular Properties:
- Polar Surface Area: 315.0 Ų
- LogP: 1.8