tert-butyl 7-[[4-[[4-[[4-(butanoylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-(chloromethyl)-5-oxidanyl-1,2,5,7-tetrahydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl 7-[[4-[[4-[[4-(butanoylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-(chloromethyl)-5-oxidanyl-1,2,5,7-tetrahydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl 7-[[4-[[4-[[4-(butanoylamino)-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-(chloromethyl)-5-hydroxy-1,2,5,7-tetrahydrobenzo[e]indole-3-carboxylate CAS Name: 1-(chloromethyl)-5-hydroxy-7-[[[1-methyl-4-[[[1-methyl-4-[[[1-methyl-4-(1-oxobutylamino)-2-pyrrolyl]-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-1,2,5,7-tetrahydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[4-[[4-[[4-(butanoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-(chloromethyl)-5-hydroxy-1,2,5,7-tetrahydrobenzo[e]indole-3-carboxylate Traditional Name: 7-[[4-[[4-[(4-butyramido-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-(chloromethyl)-5-hydroxy-1,2,5,7-tetrahydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C40H47ClN8O7 MolecularWeight: 787.30358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4C=CC5=C6C(CN(C6=CC(C5=C4)O)C(=O)OC(C)(C)C)CCl)C)C)C

Isomeric SMILES

CCCC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4C=CC5=C6C(CN(C6=CC(C5=C4)O)C(=O)OC(C)(C)C)CCl)C)C)C

InChI

InChI=1S/C40H47ClN8O7/c1-8-9-34(51)42-24-13-30(46(5)19-24)37(53)44-26-15-32(48(7)21-26)38(54)45-25-14-31(47(6)20-25)36(52)43-23-10-11-27-28(12-23)33(50)16-29-35(27)22(17-41)18-49(29)39(55)56-40(2,3)4/h10-16,19-23,33,50H,8-9,17-18H2,1-7H3,(H,42,51)(H,43,52)(H,44,53)(H,45,54)