(8S)-8-(chloromethyl)-4-oxidanyl-2-(trifluoromethyl)-6-[[5-[(5,6,7-trimethoxy-1-benzofuran-2-yl)carbonylamino]-1H-indol-2-yl]carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid

Systemtic Name: (8S)-8-(chloromethyl)-4-oxidanyl-2-(trifluoromethyl)-6-[[5-[(5,6,7-trimethoxy-1-benzofuran-2-yl)carbonylamino]-1H-indol-2-yl]carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid Openeye Name: (8S)-8-(chloromethyl)-4-hydroxy-2-(trifluoromethyl)-6-[5-[(5,6,7-trimethoxybenzofuran-2-carbonyl)amino]-1H-indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid CAS Name: (8S)-8-(chloromethyl)-4-hydroxy-6-[oxo-[5-[[oxo-(5,6,7-trimethoxy-2-benzofuranyl)methyl]amino]-1H-indol-2-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid IUPAC Name: (8S)-8-(chloromethyl)-4-hydroxy-2-(trifluoromethyl)-6-[5-[(5,6,7-trimethoxy-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid Traditional Name: (8S)-8-(chloromethyl)-4-hydroxy-2-(trifluoromethyl)-6-[5-[(5,6,7-trimethoxybenzofuran-2-carbonyl)amino]-1H-indole-2-carbonyl]-7,8-dihydro-3H-pyrrol[3,2-e]indole-1-carboxylic acid Formula: C34H26ClF3N4O9 MolecularWeight: 727.03985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5CC(C6=C7C(=C(NC7=C(C=C65)O)C(F)(F)F)C(=O)O)CCl)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5C[C@H](C6=C7C(=C(NC7=C(C=C65)O)C(F)(F)F)C(=O)O)CCl)OC)OC

InChI

InChI=1S/C34H26ClF3N4O9/c1-48-21-8-14-9-22(51-27(14)29(50-3)28(21)49-2)31(44)39-16-4-5-17-13(6-16)7-18(40-17)32(45)42-12-15(11-35)23-19(42)10-20(43)26-24(23)25(33(46)47)30(41-26)34(36,37)38/h4-10,15,40-41,43H,11-12H2,1-3H3,(H,39,44)(H,46,47)/t15-/m1/s1