2-[[4-[[4-[[1-(chloromethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-7-yl]amino]-4-oxidanylidene-butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[[4-[[1-(chloromethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-7-yl]amino]-4-oxidanylidene-butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[4-[[5-benzyloxy-3-tert-butoxycarbonyl-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-7-yl]amino]-4-oxo-butanoyl]amino]-1-methyl-imidazole-2-carbonyl]amino]acetic acid CAS Name: 2-[[[4-[[4-[[1-(chloromethyl)-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-7-yl]amino]-1,4-dioxobutyl]amino]-1-methyl-2-imidazolyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[4-[[1-(chloromethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxy-1,2-dihydrobenzo[e]indol-7-yl]amino]-4-oxobutanoyl]amino]-1-methylimidazole-2-carbonyl]amino]acetic acid Traditional Name: 2-[[4-[[4-[[5-benzoxy-3-tert-butoxycarbonyl-1-(chloromethyl)-1,2-dihydrobenz[e]indol-7-yl]amino]-4-keto-butanoyl]amino]-1-methyl-imidazole-2-carbonyl]amino]acetic acid Formula: C36H39ClN6O8 MolecularWeight: 719.18326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C3C=CC(=CC3=C(C=C21)OCC4=CC=CC=C4)NC(=O)CCC(=O)NC5=CN(C(=N5)C(=O)NCC(=O)O)C)CCl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C2=C3C=CC(=CC3=C(C=C21)OCC4=CC=CC=C4)NC(=O)CCC(=O)NC5=CN(C(=N5)C(=O)NCC(=O)O)C)CCl

InChI

InChI=1S/C36H39ClN6O8/c1-36(2,3)51-35(49)43-18-22(16-37)32-24-11-10-23(14-25(24)27(15-26(32)43)50-20-21-8-6-5-7-9-21)39-29(44)12-13-30(45)40-28-19-42(4)33(41-28)34(48)38-17-31(46)47/h5-11,14-15,19,22H,12-13,16-18,20H2,1-4H3,(H,38,48)(H,39,44)(H,40,45)(H,46,47)