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

Systemtic Name: 4-methyl-2-[(4-oxidanylidene-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-7-yl)carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[(4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carbonyl)amino]pentanoic acid CAS Name: 4-methyl-2-[[oxo-(4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-7-yl)methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[(4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carbonyl)amino]pentanoic acid Traditional Name: 2-[(4-keto-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carbonyl)amino]-4-methyl-valeric acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)NC(CC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)NC(CC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-13(2)10-19(22(28)29)25-21(27)15-8-9-16-18(11-15)24-20(26)12-17(23-16)14-6-4-3-5-7-14/h3-9,11,13,17,19,23H,10,12H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)