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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-cyclobutylcarbonyl-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-[cyclobutyl(oxo)methyl]-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-2-methyl-4-(2-thenoyl)proline Formula: C33H35NO6S MolecularWeight: 573.6991

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCC2)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)C2CCC2)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/C33H35NO6S/c1-32(2,3)22-13-10-19(11-14-22)27-26(29(35)25-9-6-16-41-25)28(21-12-15-23-24(17-21)40-18-39-23)34(33(27,4)31(37)38)30(36)20-7-5-8-20/h6,9-17,20,26-28H,5,7-8,18H2,1-4H3,(H,37,38)