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

Systemtic Name: 3-[[7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-1-(2-methylpropanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[7-methyl-1-(2-methylpropanoyl)-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[7-methyl-1-(2-methyl-1-oxopropyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[1-isobutyryl-4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C31H32N4O6 MolecularWeight: 556.60898

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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)C(C)C

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)C(C)C

InChI

InChI=1S/C31H32N4O6/c1-18(2)28(37)34-16-24(33-31(41)32-22-10-7-9-21(15-22)30(39)40)29(38)35(26-14-19(3)12-13-25(26)34)17-27(36)23-11-6-5-8-20(23)4/h5-15,18,24H,16-17H2,1-4H3,(H,39,40)(H2,32,33,41)