3-[[1-(2,2-dimethylpropanoyl)-5-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[1-(2,2-dimethylpropanoyl)-5-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-(2,2-dimethylpropanoyl)-5-[2-(2-methoxyphenyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-(2,2-dimethyl-1-oxopropyl)-5-[2-(2-methoxyphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(2,2-dimethylpropanoyl)-5-[2-(2-methoxyphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[4-keto-5-[2-keto-2-(2-methoxyphenyl)ethyl]-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C31H32N4O7 MolecularWeight: 572.60838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)C3=CC=CC=C3OC)NC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)C3=CC=CC=C3OC)NC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C31H32N4O7/c1-31(2,3)29(40)35-17-22(33-30(41)32-20-11-9-10-19(16-20)28(38)39)27(37)34(23-13-6-7-14-24(23)35)18-25(36)21-12-5-8-15-26(21)42-4/h5-16,22H,17-18H2,1-4H3,(H,38,39)(H2,32,33,41)