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

Systemtic Name: 3-(4-acetamidophenyl)-1-cyclopropylcarbonyl-4-(2,5-dimethylthiophen-3-yl)carbonyl-5-(4-fluorophenyl)-2-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-acetamidophenyl)-1-(cyclopropanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-5-(4-fluorophenyl)-2-methyl-pyrrolidine-2-carboxylic acid CAS Name: 3-(4-acetamidophenyl)-1-[cyclopropyl(oxo)methyl]-4-[(2,5-dimethyl-3-thiophenyl)-oxomethyl]-5-(4-fluorophenyl)-2-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-acetamidophenyl)-1-(cyclopropanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-5-(4-fluorophenyl)-2-methylpyrrolidine-2-carboxylic acid Traditional Name: 3-(4-acetamidophenyl)-1-(cyclopropanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-5-(4-fluorophenyl)-2-methyl-proline Formula: C31H31FN2O5S MolecularWeight: 562.651643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)C2C(C(N(C2C3=CC=C(C=C3)F)C(=O)C4CC4)(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)F)C(=O)C4CC4)(C)C(=O)O)C5=CC=C(C=C5)NC(=O)C

InChI

InChI=1S/C31H31FN2O5S/c1-16-15-24(17(2)40-16)28(36)25-26(19-9-13-23(14-10-19)33-18(3)35)31(4,30(38)39)34(29(37)21-5-6-21)27(25)20-7-11-22(32)12-8-20/h7-15,21,25-27H,5-6H2,1-4H3,(H,33,35)(H,38,39)