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

Systemtic Name: 3-[[7-methyl-1-(3-methylbutanoyl)-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[7-methyl-1-(3-methylbutanoyl)-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-(3-methyl-1-oxobutyl)-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-1-(3-methylbutanoyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[1-isovaleryl-4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C32H34N4O6 MolecularWeight: 570.63556

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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)CC(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)CC(C)C

InChI

InChI=1S/C32H34N4O6/c1-19(2)14-29(38)35-17-25(34-32(42)33-23-10-7-9-22(16-23)31(40)41)30(39)36(27-15-20(3)12-13-26(27)35)18-28(37)24-11-6-5-8-21(24)4/h5-13,15-16,19,25H,14,17-18H2,1-4H3,(H,40,41)(H2,33,34,42)