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

Systemtic Name: methyl 4-[[4-[4-[[(6aS)-2-methoxy-11-oxidanylidene-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[[4-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-imidazole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[[4-[[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1-oxobutyl]amino]-1-methyl-2-imidazolyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate Traditional Name: 4-[[4-[4-[[(6aS)-11-keto-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-imidazole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C29H33N7O7 MolecularWeight: 591.61502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC)NC(=O)C2=NC(=CN2C)NC(=O)CCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC

Isomeric SMILES

CN1C=C(C=C1C(=O)OC)NC(=O)C2=NC(=CN2C)NC(=O)CCCOC3=C(C=C4C(=C3)N=C[C@@H]5CCCN5C4=O)OC

InChI

InChI=1S/C29H33N7O7/c1-34-15-17(11-21(34)29(40)42-4)31-27(38)26-33-24(16-35(26)2)32-25(37)8-6-10-43-23-13-20-19(12-22(23)41-3)28(39)36-9-5-7-18(36)14-30-20/h11-16,18H,5-10H2,1-4H3,(H,31,38)(H,32,37)/t18-/m0/s1