3-(4-acetamidophenyl)-5-(4-chlorophenyl)-1-cyclobutylcarbonyl-4-(2,5-dimethylthiophen-3-yl)carbonyl-2-methyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-acetamidophenyl)-5-(4-chlorophenyl)-1-cyclobutylcarbonyl-4-(2,5-dimethylthiophen-3-yl)carbonyl-2-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-acetamidophenyl)-5-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-2-methyl-pyrrolidine-2-carboxylic acid CAS Name: 3-(4-acetamidophenyl)-5-(4-chlorophenyl)-1-[cyclobutyl(oxo)methyl]-4-[(2,5-dimethyl-3-thiophenyl)-oxomethyl]-2-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-acetamidophenyl)-5-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-2-methylpyrrolidine-2-carboxylic acid Traditional Name: 3-(4-acetamidophenyl)-5-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-2-methyl-proline Formula: C32H33ClN2O5S MolecularWeight: 593.13282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)C2C(C(N(C2C3=CC=C(C=C3)Cl)C(=O)C4CCC4)(C)C(=O)O)C5=CC=C(C=C5)NC(=O)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)C2C(C(N(C2C3=CC=C(C=C3)Cl)C(=O)C4CCC4)(C)C(=O)O)C5=CC=C(C=C5)NC(=O)C

InChI

InChI=1S/C32H33ClN2O5S/c1-17-16-25(18(2)41-17)29(37)26-27(20-10-14-24(15-11-20)34-19(3)36)32(4,31(39)40)35(30(38)22-6-5-7-22)28(26)21-8-12-23(33)13-9-21/h8-16,22,26-28H,5-7H2,1-4H3,(H,34,36)(H,39,40)