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

Systemtic Name: 3-[[1-(2,2-dimethylpropanoyl)-4-oxidanylidene-5-phenacyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-(2,2-dimethylpropanoyl)-4-oxo-5-phenacyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-(2,2-dimethyl-1-oxopropyl)-4-oxo-5-phenacyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(2,2-dimethylpropanoyl)-4-oxo-5-phenacyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[(4-keto-5-phenacyl-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl)carbamoylamino]benzoic acid Formula: C30H30N4O6 MolecularWeight: 542.5824

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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=C3)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=C3)NC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C30H30N4O6/c1-30(2,3)28(39)34-17-22(32-29(40)31-21-13-9-12-20(16-21)27(37)38)26(36)33(23-14-7-8-15-24(23)34)18-25(35)19-10-5-4-6-11-19/h4-16,22H,17-18H2,1-3H3,(H,37,38)(H2,31,32,40)