3-(4-tert-butylphenyl)-1-cyclobutylcarbonyl-5-(4-fluorophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-cyclobutylcarbonyl-5-(4-fluorophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-5-(4-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[cyclobutyl(oxo)methyl]-5-(4-fluorophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-5-(4-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-5-(4-fluorophenyl)-4-(2-thenoyl)proline Formula: C31H32FNO4S MolecularWeight: 533.653483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCC3)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCC3)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

InChI

InChI=1S/C31H32FNO4S/c1-31(2,3)21-13-9-18(10-14-21)24-25(28(34)23-8-5-17-38-23)26(19-11-15-22(32)16-12-19)33(27(24)30(36)37)29(35)20-6-4-7-20/h5,8-17,20,24-27H,4,6-7H2,1-3H3,(H,36,37)