4-methyl-2-[[1-(4-nitrophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[1-(4-nitrophenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[1-(4-nitrobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[[1-[(4-nitrophenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]-oxomethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[1-(4-nitrobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]pentanoic acid Traditional Name: 2-[[4-keto-1-(4-nitrobenzoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methyl-valeric acid Formula: C29H28N4O7 MolecularWeight: 544.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H28N4O7/c1-17(2)14-23(29(37)38)31-27(35)20-10-13-24-22(15-20)30-26(34)16-25(18-6-4-3-5-7-18)32(24)28(36)19-8-11-21(12-9-19)33(39)40/h3-13,15,17,23,25H,14,16H2,1-2H3,(H,30,34)(H,31,35)(H,37,38)