3-[[5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-pyrrolidin-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-pyrrolidin-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-(pyrrolidine-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-pyrrolidinyl)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-(pyrrolidine-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-prolyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C31H31N5O6 MolecularWeight: 569.60774

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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)C5CCCN5

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)C5CCCN5

InChI

InChI=1S/C31H31N5O6/c1-19-8-2-3-11-22(19)27(37)18-36-26-14-5-4-13-25(26)35(28(38)23-12-7-15-32-23)17-24(29(36)39)34-31(42)33-21-10-6-9-20(16-21)30(40)41/h2-6,8-11,13-14,16,23-24,32H,7,12,15,17-18H2,1H3,(H,40,41)(H2,33,34,42)