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

Systemtic Name: 4-methyl-2-[[4-oxidanylidene-1-(2-phenoxypropanoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[4-oxo-1-(2-phenoxypropanoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[oxo-[4-oxo-1-(1-oxo-2-phenoxypropyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[4-oxo-1-(2-phenoxypropanoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]pentanoic acid Traditional Name: 2-[[4-keto-1-(2-phenoxypropanoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methyl-valeric acid Formula: C31H33N3O6 MolecularWeight: 543.61022

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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)C(C)OC4=CC=CC=C4

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)C(C)OC4=CC=CC=C4

InChI

InChI=1S/C31H33N3O6/c1-19(2)16-25(31(38)39)33-29(36)22-14-15-26-24(17-22)32-28(35)18-27(21-10-6-4-7-11-21)34(26)30(37)20(3)40-23-12-8-5-9-13-23/h4-15,17,19-20,25,27H,16,18H2,1-3H3,(H,32,35)(H,33,36)(H,38,39)