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

Systemtic Name: 4-[[4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxidanylidene-butanoyl]amino]-N-[5-[[2-[[2-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[[4-[7-acetamido-5-benzyloxy-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-4-oxo-butanoyl]amino]-N-[5-[[2-[[2-[7-acetamido-5-benzyloxy-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-1,4-dioxobutyl]amino]-N-[5-[[[2-[[2-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[[4-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-4-oxobutanoyl]amino]-N-[5-[[2-[[2-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide Traditional Name: 4-[[4-[7-acetamido-5-benzoxy-1-(chloromethyl)-1,2-dihydrobenz[e]indol-3-yl]-4-keto-butanoyl]amino]-N-[5-[[2-[[2-[7-acetamido-5-benzoxy-1-(chloromethyl)-1,2-dihydrobenz[e]indol-3-yl]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide Formula: C64H62Cl2N10O10 MolecularWeight: 1202.14408

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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)NCC(=O)NCC(=O)N6CC(C7=C8C=CC(=CC8=C(C=C76)OCC9=CC=CC=C9)NC(=O)C)CCl)C)C)CCl)OCC1=CC=CC=C1

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)NCC(=O)NCC(=O)N6CC(C7=C8C=CC(=CC8=C(C=C76)OCC9=CC=CC=C9)NC(=O)C)CCl)C)C)CCl)OCC1=CC=CC=C1

InChI

InChI=1S/C64H62Cl2N10O10/c1-37(77)69-43-15-17-47-49(21-43)55(85-35-39-11-7-5-8-12-39)25-51-61(47)41(27-65)31-75(51)59(81)20-19-57(79)71-45-23-54(74(4)33-45)64(84)72-46-24-53(73(3)34-46)63(83)68-29-58(80)67-30-60(82)76-32-42(28-66)62-48-18-16-44(70-38(2)78)22-50(48)56(26-52(62)76)86-36-40-13-9-6-10-14-40/h5-18,21-26,33-34,41-42H,19-20,27-32,35-36H2,1-4H3,(H,67,80)(H,68,83)(H,69,77)(H,70,78)(H,71,79)(H,72,84)