4-aminocarbonyl-1-(4-ethylphenyl)carbonyl-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-aminocarbonyl-1-(4-ethylphenyl)carbonyl-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 4-carbamoyl-1-(4-ethylbenzoyl)-2-isobutyl-5-thiazol-2-yl-pyrrolidine-2-carboxylic acid CAS Name: 4-carbamoyl-1-[(4-ethylphenyl)-oxomethyl]-2-(2-methylpropyl)-5-(2-thiazolyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-carbamoyl-1-(4-ethylbenzoyl)-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 4-carbamoyl-1-(4-ethylbenzoyl)-2-isobutyl-5-thiazol-2-yl-proline Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2C(C(CC2(CC(C)C)C(=O)O)C(=O)N)C3=NC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2C(C(CC2(CC(C)C)C(=O)O)C(=O)N)C3=NC=CS3

InChI

InChI=1S/C22H27N3O4S/c1-4-14-5-7-15(8-6-14)20(27)25-17(19-24-9-10-30-19)16(18(23)26)12-22(25,21(28)29)11-13(2)3/h5-10,13,16-17H,4,11-12H2,1-3H3,(H2,23,26)(H,28,29)