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

Systemtic Name: 2-[[2-cyclohexyl-4-oxidanylidene-1-(phenylcarbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(1-benzoyl-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[(1-benzoyl-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-7-yl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(1-benzoyl-2-cyclohexyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl)amino]-4-methylpentanoic acid Traditional Name: 2-[(1-benzoyl-2-cyclohexyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl)amino]-4-methyl-valeric acid Formula: C29H35N3O5 MolecularWeight: 505.6053

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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)C3CCCCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3CCCCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H35N3O5/c1-18(2)15-23(29(36)37)31-27(34)21-13-14-24-22(16-21)30-26(33)17-25(19-9-5-3-6-10-19)32(24)28(35)20-11-7-4-8-12-20/h4,7-8,11-14,16,18-19,23,25H,3,5-6,9-10,15,17H2,1-2H3,(H,30,33)(H,31,34)(H,36,37)