3-[[1-(2,2-dimethylpropanoyl)-7-methyl-4-oxidanylidene-5-(thiophen-2-ylmethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[1-(2,2-dimethylpropanoyl)-7-methyl-4-oxidanylidene-5-(thiophen-2-ylmethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-(2,2-dimethylpropanoyl)-7-methyl-4-oxo-5-(2-thienylmethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-(2,2-dimethyl-1-oxopropyl)-7-methyl-4-oxo-5-(thiophen-2-ylmethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(2,2-dimethylpropanoyl)-7-methyl-4-oxo-5-(thiophen-2-ylmethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[4-keto-7-methyl-1-pivaloyl-5-(2-thenyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C28H30N4O5S MolecularWeight: 534.6266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC3=CC=CS3)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC3=CC=CS3)NC(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)C(C)(C)C

InChI

InChI=1S/C28H30N4O5S/c1-17-10-11-22-23(13-17)31(15-20-9-6-12-38-20)24(33)21(16-32(22)26(36)28(2,3)4)30-27(37)29-19-8-5-7-18(14-19)25(34)35/h5-14,21H,15-16H2,1-4H3,(H,34,35)(H2,29,30,37)