4-[[4-[7-acetamido-1-(chloromethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]-4-oxidanylidene-butanoyl]amino]-N-[5-[[5-[[2-[7-acetamido-1-(chloromethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]-2-oxidanylidene-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[[4-[7-acetamido-1-(chloromethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]-4-oxidanylidene-butanoyl]amino]-N-[5-[[5-[[2-[7-acetamido-1-(chloromethyl)-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]-2-oxidanylidene-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[[4-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxo-butanoyl]amino]-N-[5-[[5-[[2-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxo-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-1,4-dioxobutyl]amino]-N-[5-[[[5-[[[2-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[[4-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxobutanoyl]amino]-N-[5-[[5-[[2-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide Traditional Name: 4-[[4-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenz[e]indol-3-yl]-4-keto-butanoyl]amino]-N-[5-[[5-[[2-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenz[e]indol-3-yl]-2-keto-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide Formula: C54H53Cl2N11O10 MolecularWeight: 1086.97232

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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)NCC(=O)N7CC(C8=C9C=CC(=CC9=C(C=C87)O)NC(=O)C)CCl)C)C)C)CCl)O

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)NCC(=O)N7CC(C8=C9C=CC(=CC9=C(C=C87)O)NC(=O)C)CCl)C)C)C)CCl)O

InChI

InChI=1S/C54H53Cl2N11O10/c1-27(68)58-31-6-8-36-38(12-31)45(70)17-40-50(36)29(19-55)22-66(40)48(73)11-10-47(72)60-33-14-43(64(4)24-33)53(76)62-35-16-44(65(5)26-35)54(77)61-34-15-42(63(3)25-34)52(75)57-21-49(74)67-23-30(20-56)51-37-9-7-32(59-28(2)69)13-39(37)46(71)18-41(51)67/h6-9,12-18,24-26,29-30,70-71H,10-11,19-23H2,1-5H3,(H,57,75)(H,58,68)(H,59,69)(H,60,72)(H,61,77)(H,62,76)