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

Systemtic Name: 3-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-1-pyrrolidin-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-1-(pyrrolidine-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-[oxo(2-pyrrolidinyl)methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-(pyrrolidine-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[4-keto-5-(2-keto-3,3-dimethyl-butyl)-1-prolyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C28H33N5O6 MolecularWeight: 535.59152

Click to see the large picture

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)C4CCCN4

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)C4CCCN4

InChI

InChI=1S/C28H33N5O6/c1-28(2,3)23(34)16-33-22-12-5-4-11-21(22)32(24(35)19-10-7-13-29-19)15-20(25(33)36)31-27(39)30-18-9-6-8-17(14-18)26(37)38/h4-6,8-9,11-12,14,19-20,29H,7,10,13,15-16H2,1-3H3,(H,37,38)(H2,30,31,39)