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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-2-methyl-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-2-methyl-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-2-methyl-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-2-methyl-1-(phenylcarbamoyl)-4-(2-thenoyl)proline Formula: C35H34N2O6S MolecularWeight: 610.71926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)NC2=CC=CC=C2)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)NC2=CC=CC=C2)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/C35H34N2O6S/c1-34(2,3)23-15-12-21(13-16-23)29-28(31(38)27-11-8-18-44-27)30(22-14-17-25-26(19-22)43-20-42-25)37(35(29,4)32(39)40)33(41)36-24-9-6-5-7-10-24/h5-19,28-30H,20H2,1-4H3,(H,36,41)(H,39,40)