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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-cyclobutylcarbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-[cyclobutyl(oxo)methyl]-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-4-(2-thenoyl)proline Formula: C32H33NO6S MolecularWeight: 559.67252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCC3)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)C3CCC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

InChI

InChI=1S/C32H33NO6S/c1-32(2,3)21-12-9-18(10-13-21)25-26(29(34)24-8-5-15-40-24)27(20-11-14-22-23(16-20)39-17-38-22)33(28(25)31(36)37)30(35)19-6-4-7-19/h5,8-16,19,25-28H,4,6-7,17H2,1-3H3,(H,36,37)