methyl 4-[[4-[[4-[3-[[(6aS)-2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[[4-[[4-[3-[[(6aS)-2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[[4-[[4-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[[4-[[[4-[[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1-oxopropyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-[[4-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[[4-[[4-[3-[[(6aS)-11-keto-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propanoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C35H38N8O8 MolecularWeight: 698.72502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)OC)C)C)NC(=O)CCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)OC)C)C)NC(=O)CCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC

InChI

InChI=1S/C35H38N8O8/c1-40-17-20(37-31(44)8-10-51-30-15-25-24(14-29(30)49-4)34(47)43-9-6-7-23(43)16-36-25)11-26(40)32(45)38-21-12-27(41(2)18-21)33(46)39-22-13-28(35(48)50-5)42(3)19-22/h11-19,23H,6-10H2,1-5H3,(H,37,44)(H,38,45)(H,39,46)/t23-/m0/s1