tert-butyl 7-[[4-[[5-[[5-[[2-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxidanylidene-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butanoyl]amino]-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl 7-[[4-[[5-[[5-[[2-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxidanylidene-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butanoyl]amino]-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl 7-[[4-[[5-[[5-[[2-[7-acetamido-5-benzyloxy-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-2-oxo-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxo-butanoyl]amino]-5-benzyloxy-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: 7-[[4-[[5-[[[5-[[[2-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-1,4-dioxobutyl]amino]-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[4-[[5-[[5-[[2-[7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutanoyl]amino]-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: 7-[[4-[[5-[[5-[[2-[7-acetamido-5-benzoxy-1-(chloromethyl)-1,2-dihydrobenz[e]indol-3-yl]-2-keto-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-keto-butanoyl]amino]-5-benzoxy-1-(chloromethyl)-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C65H65Cl2N9O10 MolecularWeight: 1203.1719

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CNC(=O)C4=CC(=CN4C)NC(=O)C5=CC(=CN5C)NC(=O)CCC(=O)NC6=CC7=C(C=C8C(=C7C=C6)C(CN8C(=O)OC(C)(C)C)CCl)OCC9=CC=CC=C9)CCl)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CNC(=O)C4=CC(=CN4C)NC(=O)C5=CC(=CN5C)NC(=O)CCC(=O)NC6=CC7=C(C=C8C(=C7C=C6)C(CN8C(=O)OC(C)(C)C)CCl)OCC9=CC=CC=C9)CCl)OCC1=CC=CC=C1

InChI

InChI=1S/C65H65Cl2N9O10/c1-38(77)69-43-17-19-47-49(23-43)55(84-36-39-13-9-7-10-14-39)27-51-60(47)41(29-66)32-75(51)59(80)31-68-62(81)53-26-46(35-73(53)5)72-63(82)54-25-45(34-74(54)6)71-58(79)22-21-57(78)70-44-18-20-48-50(24-44)56(85-37-40-15-11-8-12-16-40)28-52-61(48)42(30-67)33-76(52)64(83)86-65(2,3)4/h7-20,23-28,34-35,41-42H,21-22,29-33,36-37H2,1-6H3,(H,68,81)(H,69,77)(H,70,78)(H,71,79)(H,72,82)