5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(3-fluorophenyl)carbonyl-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(3-fluorophenyl)carbonyl-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(3-fluorobenzoyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-[(3-fluorophenyl)-oxomethyl]-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(3-fluorobenzoyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(3-fluorobenzoyl)-2-methyl-4-(2-thenoyl)proline Formula: C35H32FNO6S MolecularWeight: 613.695083

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2=CC(=CC=C2)F)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5)C6=CC=C(C=C6)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2=CC(=CC=C2)F)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5)C6=CC=C(C=C6)C(C)(C)C)C(=O)O

InChI

InChI=1S/C35H32FNO6S/c1-34(2,3)23-13-10-20(11-14-23)29-28(31(38)27-9-6-16-44-27)30(21-12-15-25-26(18-21)43-19-42-25)37(35(29,4)33(40)41)32(39)22-7-5-8-24(36)17-22/h5-18,28-30H,19H2,1-4H3,(H,40,41)