4-[[4-[[4-[[4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxidanylidene-butanoyl]amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[[4-[[4-[[4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxidanylidene-butanoyl]amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[[4-[[4-[[4-[7-acetamido-5-benzyloxy-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-4-oxo-butanoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[[[4-[[[4-[[4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-1,4-dioxobutyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[[4-[[4-[[4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxobutanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[[4-[[4-[[4-[7-acetamido-5-benzoxy-1-(chloromethyl)-1,2-dihydrobenz[e]indol-3-yl]-4-keto-butanoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylic acid Formula: C44H43ClN8O8 MolecularWeight: 847.31402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCC(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)O)C)C)C)CCl)OCC7=CC=CC=C7

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCC(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)O)C)C)C)CCl)OCC7=CC=CC=C7

InChI

InChI=1S/C44H43ClN8O8/c1-25(54)46-28-10-11-32-33(14-28)38(61-24-26-8-6-5-7-9-26)18-34-41(32)27(19-45)20-53(34)40(56)13-12-39(55)47-29-15-35(50(2)21-29)42(57)48-30-16-36(51(3)22-30)43(58)49-31-17-37(44(59)60)52(4)23-31/h5-11,14-18,21-23,27H,12-13,19-20,24H2,1-4H3,(H,46,54)(H,47,55)(H,48,57)(H,49,58)(H,59,60)