3-[[5-methyl-1-(3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl)-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-methyl-1-(3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl)-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-methyl-1-[2-methyl-1-(phenylcarbamoyl)propyl]-2-oxo-3,5-dihydro-1,4-benzodiazepine-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[1-(1-anilino-3-methyl-1-oxobutan-2-yl)-5-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepin-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(1-anilino-3-methyl-1-oxobutan-2-yl)-5-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-keto-5-methyl-1-[2-methyl-1-(phenylcarbamoyl)propyl]-3,5-dihydro-1,4-benzodiazepine-4-carbonyl]amino]benzoic acid Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2N(C(=O)CN1C(=O)NC3=CC=CC(=C3)C(=O)O)C(C(C)C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1C2=CC=CC=C2N(C(=O)CN1C(=O)NC3=CC=CC(=C3)C(=O)O)C(C(C)C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H30N4O5/c1-18(2)26(27(35)30-21-11-5-4-6-12-21)33-24-15-8-7-14-23(24)19(3)32(17-25(33)34)29(38)31-22-13-9-10-20(16-22)28(36)37/h4-16,18-19,26H,17H2,1-3H3,(H,30,35)(H,31,38)(H,36,37)