1-(3,3-dimethylbutanoyl)-5-(3-methylphenyl)-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3,3-dimethylbutanoyl)-5-(3-methylphenyl)-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3,3-dimethylbutanoyl)-4-(4-methylbenzoyl)-5-(m-tolyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1-oxobutyl)-5-(3-methylphenyl)-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,3-dimethylbutanoyl)-4-(4-methylbenzoyl)-5-(3-methylphenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-(3,3-dimethylbutanoyl)-5-(m-tolyl)-4-p-toluoyl-3-(2-thienyl)proline Formula: C30H33NO4S MolecularWeight: 503.65232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)C)C(=O)CC(C)(C)C)C(=O)O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)C)C(=O)CC(C)(C)C)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C30H33NO4S/c1-18-11-13-20(14-12-18)28(33)25-24(22-10-7-15-36-22)27(29(34)35)31(23(32)17-30(3,4)5)26(25)21-9-6-8-19(2)16-21/h6-16,24-27H,17H2,1-5H3,(H,34,35)