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

Systemtic Name: 1-(3-methylbutanoyl)-5-(3-methylphenyl)-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-methylbenzoyl)-1-(3-methylbutanoyl)-5-(m-tolyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3-methyl-1-oxobutyl)-5-(3-methylphenyl)-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-methylbenzoyl)-1-(3-methylbutanoyl)-5-(3-methylphenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-isovaleryl-5-(m-tolyl)-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)C(=O)CC(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(=O)O)C4=CC=CS4

InChI

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