3-[[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-pyridin-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-pyridin-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-1-(pyridine-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-[oxo(2-pyridinyl)methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-(pyridine-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-1-picolinoyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C33H29N5O6 MolecularWeight: 591.61326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C33H29N5O6/c1-20-13-14-27-28(16-20)38(19-29(39)24-11-4-3-8-21(24)2)31(41)26(18-37(27)30(40)25-12-5-6-15-34-25)36-33(44)35-23-10-7-9-22(17-23)32(42)43/h3-17,26H,18-19H2,1-2H3,(H,42,43)(H2,35,36,44)