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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-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)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(phenylcarbamoyl)-4-(2-thenoyl)proline Formula: C34H32N2O6S MolecularWeight: 596.69268

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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)NC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)NC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

InChI

InChI=1S/C34H32N2O6S/c1-34(2,3)22-14-11-20(12-15-22)27-28(31(37)26-10-7-17-43-26)29(21-13-16-24-25(18-21)42-19-41-24)36(30(27)32(38)39)33(40)35-23-8-5-4-6-9-23/h4-18,27-30H,19H2,1-3H3,(H,35,40)(H,38,39)