N-[3-(dimethylamino)propyl]-4-[[1-[8-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-4-nitro-pyrrol-1-yl]octyl]-4-nitro-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-[[1-[8-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-4-nitro-pyrrol-1-yl]octyl]-4-nitro-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-4-[[1-[8-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-4-nitro-pyrrol-1-yl]octyl]-4-nitro-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-4-[[[1-[8-[2-[[[5-[[3-(dimethylamino)propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-4-nitro-1-pyrrolyl]octyl]-4-nitro-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-[[1-[8-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-nitropyrrol-1-yl]octyl]-4-nitropyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-4-[[1-[8-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-4-nitro-pyrrol-1-yl]octyl]-4-nitro-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide Formula: C40H58N12O8 MolecularWeight: 834.96412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)C2=CC(=CN2CCCCCCCCN3C=C(C=C3C(=O)NC4=CN(C(=C4)C(=O)NCCCN(C)C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)C2=CC(=CN2CCCCCCCCN3C=C(C=C3C(=O)NC4=CN(C(=C4)C(=O)NCCCN(C)C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C40H58N12O8/c1-45(2)17-13-15-41-37(53)33-21-29(25-47(33)5)43-39(55)35-23-31(51(57)58)27-49(35)19-11-9-7-8-10-12-20-50-28-32(52(59)60)24-36(50)40(56)44-30-22-34(48(6)26-30)38(54)42-16-14-18-46(3)4/h21-28H,7-20H2,1-6H3,(H,41,53)(H,42,54)(H,43,55)(H,44,56)