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

Systemtic Name: 3-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)-1-(2,2-dimethylpropanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[5-(3,3-dimethyl-2-oxo-butyl)-1-(2,2-dimethylpropanoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[5-(3,3-dimethyl-2-oxobutyl)-1-(2,2-dimethyl-1-oxopropyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(3,3-dimethyl-2-oxobutyl)-1-(2,2-dimethylpropanoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[4-keto-5-(2-keto-3,3-dimethyl-butyl)-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C28H34N4O6 MolecularWeight: 522.59276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)O)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)O)C(=O)C(C)(C)C

InChI

InChI=1S/C28H34N4O6/c1-27(2,3)22(33)16-31-20-12-7-8-13-21(20)32(25(37)28(4,5)6)15-19(23(31)34)30-26(38)29-18-11-9-10-17(14-18)24(35)36/h7-14,19H,15-16H2,1-6H3,(H,35,36)(H2,29,30,38)