(2R,5S)-1-(4-tert-butylphenyl)carbonyl-3-(cyclohexylmethylcarbamoyl)-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-2H-pyrrole-5-carboxylic acid

Systemtic Name: (2R,5S)-1-(4-tert-butylphenyl)carbonyl-3-(cyclohexylmethylcarbamoyl)-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-2H-pyrrole-5-carboxylic acid Openeye Name: (2R,5S)-1-(4-tert-butylbenzoyl)-3-(cyclohexylmethylcarbamoyl)-5-isobutyl-2-thiazol-2-yl-2H-pyrrole-5-carboxylic acid CAS Name: (2R,5S)-1-[(4-tert-butylphenyl)-oxomethyl]-3-[(cyclohexylmethylamino)-oxomethyl]-5-(2-methylpropyl)-2-(2-thiazolyl)-2H-pyrrole-5-carboxylic acid IUPAC Name: (2R,5S)-1-(4-tert-butylbenzoyl)-3-(cyclohexylmethylcarbamoyl)-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-2H-pyrrole-5-carboxylic acid Traditional Name: (2S,5R)-1-(4-tert-butylbenzoyl)-4-(cyclohexylmethylcarbamoyl)-2-isobutyl-5-thiazol-2-yl-3-pyrroline-2-carboxylic acid Formula: C31H41N3O4S MolecularWeight: 551.73994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C=C(C(N1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC=CS3)C(=O)NCC4CCCCC4)C(=O)O

Isomeric SMILES

CC(C)C[C@]1(C=C([C@@H](N1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC=CS3)C(=O)NCC4CCCCC4)C(=O)O

InChI

InChI=1S/C31H41N3O4S/c1-20(2)17-31(29(37)38)18-24(26(35)33-19-21-9-7-6-8-10-21)25(27-32-15-16-39-27)34(31)28(36)22-11-13-23(14-12-22)30(3,4)5/h11-16,18,20-21,25H,6-10,17,19H2,1-5H3,(H,33,35)(H,37,38)/t25-,31+/m1/s1