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

Systemtic Name: 3-(4-tert-butylphenyl)-1-cyclohexylcarbonyl-5-(4-fluorophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[cyclohexyl(oxo)methyl]-5-(4-fluorophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-(cyclohexanecarbonyl)-5-(4-fluorophenyl)-4-(2-thenoyl)proline Formula: C33H36FNO4S MolecularWeight: 561.706643

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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)C3CCCCC3)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)C3CCCCC3)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

InChI

InChI=1S/C33H36FNO4S/c1-33(2,3)23-15-11-20(12-16-23)26-27(30(36)25-10-7-19-40-25)28(21-13-17-24(34)18-14-21)35(29(26)32(38)39)31(37)22-8-5-4-6-9-22/h7,10-19,22,26-29H,4-6,8-9H2,1-3H3,(H,38,39)