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

Systemtic Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-morpholin-4-ylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-[4-morpholinyl(oxo)methyl]-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-(morpholine-4-carbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-5-(4-fluorophenyl)-1-(morpholine-4-carbonyl)-4-(2-thenoyl)proline Formula: C31H33FN2O5S MolecularWeight: 564.667523

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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)N3CCOCC3)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)N3CCOCC3)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

InChI

InChI=1S/C31H33FN2O5S/c1-31(2,3)21-10-6-19(7-11-21)24-25(28(35)23-5-4-18-40-23)26(20-8-12-22(32)13-9-20)34(27(24)29(36)37)30(38)33-14-16-39-17-15-33/h4-13,18,24-27H,14-17H2,1-3H3,(H,36,37)