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

Systemtic Name: 3-[[5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-piperidin-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-1-(piperidine-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-[oxo(2-piperidinyl)methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-(piperidine-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]-1-pipecoloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C32H33N5O6 MolecularWeight: 583.63432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C5CCCCN5

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C5CCCCN5

InChI

InChI=1S/C32H33N5O6/c1-20-9-2-3-12-23(20)28(38)19-37-27-15-5-4-14-26(27)36(29(39)24-13-6-7-16-33-24)18-25(30(37)40)35-32(43)34-22-11-8-10-21(17-22)31(41)42/h2-5,8-12,14-15,17,24-25,33H,6-7,13,16,18-19H2,1H3,(H,41,42)(H2,34,35,43)