3-[[1-(3-methoxyphenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[1-(3-methoxyphenyl)carbonyl-4-oxidanylidene-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-(3-methoxybenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[(3-methoxyphenyl)-oxomethyl]-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-(3-methoxybenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[(4-keto-1-m-anisoyl-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl)amino]-3-(3-pyridyl)propionic acid Formula: C32H28N4O6 MolecularWeight: 564.58792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H28N4O6/c1-42-24-11-5-9-22(15-24)32(41)36-27-13-12-21(31(40)35-25(17-30(38)39)23-10-6-14-33-19-23)16-26(27)34-29(37)18-28(36)20-7-3-2-4-8-20/h2-16,19,25,28H,17-18H2,1H3,(H,34,37)(H,35,40)(H,38,39)