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

Systemtic Name: 3-[[5-(2,2-dimethylpropanoyl)-1-methyl-2-oxidanylidene-3,4-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[5-(2,2-dimethylpropanoyl)-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[5-(2,2-dimethyl-1-oxopropyl)-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(2,2-dimethylpropanoyl)-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[(2-keto-1-methyl-5-pivaloyl-3,4-dihydro-1,5-benzodiazepin-3-yl)carbamoylamino]benzoic acid Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC(C(=O)N(C2=CC=CC=C21)C)NC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)N1CC(C(=O)N(C2=CC=CC=C21)C)NC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H26N4O5/c1-23(2,3)21(31)27-13-16(19(28)26(4)17-10-5-6-11-18(17)27)25-22(32)24-15-9-7-8-14(12-15)20(29)30/h5-12,16H,13H2,1-4H3,(H,29,30)(H2,24,25,32)