ethyl 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-pyrrol-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate

Systemtic Name: ethyl 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-pyrrol-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate Openeye Name: ethyl 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-pyrrole-2-carbonyl]amino]-1-methyl-imidazole-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-pyrrolyl]-oxomethyl]amino]-1-methyl-2-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-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-pyrrole-2-carbonyl]amino]-1-methyl-imidazole-2-carboxylic acid ethyl ester Formula: C30H35N7O7 MolecularWeight: 605.6416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)CCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC

Isomeric SMILES

CCOC(=O)C1=NC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)CCCOC3=C(C=C4C(=C3)N=C[C@@H]5CCCN5C4=O)OC

InChI

InChI=1S/C30H35N7O7/c1-5-43-30(41)27-33-25(17-36(27)3)34-28(39)22-12-18(16-35(22)2)32-26(38)9-7-11-44-24-14-21-20(13-23(24)42-4)29(40)37-10-6-8-19(37)15-31-21/h12-17,19H,5-11H2,1-4H3,(H,32,38)(H,34,39)/t19-/m0/s1