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

Systemtic Name: 1-(3,3-dimethylbutanoyl)-4-(4-methylphenyl)carbonyl-5-phenyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3,3-dimethylbutanoyl)-4-(4-methylbenzoyl)-5-phenyl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3,3-dimethyl-1-oxobutyl)-4-[(4-methylphenyl)-oxomethyl]-5-phenyl-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3,3-dimethylbutanoyl)-4-(4-methylbenzoyl)-5-phenyl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-(3,3-dimethylbutanoyl)-5-phenyl-4-p-toluoyl-3-(2-thienyl)proline Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H31NO4S/c1-18-12-14-20(15-13-18)27(32)24-23(21-11-8-16-35-21)26(28(33)34)30(22(31)17-29(2,3)4)25(24)19-9-6-5-7-10-19/h5-16,23-26H,17H2,1-4H3,(H,33,34)