(2S,4S,5R)-1-(4-tert-butylphenyl)carbonyl-2-(2-methylpropyl)-4-pyridin-2-yl-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S,5R)-1-(4-tert-butylphenyl)carbonyl-2-(2-methylpropyl)-4-pyridin-2-yl-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-4-(2-pyridyl)-5-thiazol-2-yl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S,5R)-1-[(4-tert-butylphenyl)-oxomethyl]-2-(2-methylpropyl)-4-(2-pyridinyl)-5-(2-thiazolyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyridin-2-yl-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-4-(2-pyridyl)-5-thiazol-2-yl-proline Formula: C28H33N3O3S MolecularWeight: 491.64492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC=CS3)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC=CS3)C4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C28H33N3O3S/c1-18(2)16-28(26(33)34)17-21(22-8-6-7-13-29-22)23(24-30-14-15-35-24)31(28)25(32)19-9-11-20(12-10-19)27(3,4)5/h6-15,18,21,23H,16-17H2,1-5H3,(H,33,34)/t21-,23-,28+/m1/s1