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

Systemtic Name: 1-(3-methylbutanoyl)-4-(4-methylphenyl)carbonyl-5-phenyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-methylbenzoyl)-1-(3-methylbutanoyl)-5-phenyl-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3-methyl-1-oxobutyl)-4-[(4-methylphenyl)-oxomethyl]-5-phenyl-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-methylbenzoyl)-1-(3-methylbutanoyl)-5-phenyl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-isovaleryl-5-phenyl-4-p-toluoyl-3-(2-thienyl)proline Formula: C28H29NO4S MolecularWeight: 475.59916

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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(=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(=O)O)C4=CC=CS4

InChI

InChI=1S/C28H29NO4S/c1-17(2)16-22(30)29-25(19-8-5-4-6-9-19)24(27(31)20-13-11-18(3)12-14-20)23(26(29)28(32)33)21-10-7-15-34-21/h4-15,17,23-26H,16H2,1-3H3,(H,32,33)