3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-cyclobutylcarbonyl-4-(2,5-dimethylthiophen-3-yl)carbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-cyclobutylcarbonyl-4-(2,5-dimethylthiophen-3-yl)carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-[cyclobutyl(oxo)methyl]-4-[(2,5-dimethyl-3-thiophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)proline Formula: C32H32N2O7S MolecularWeight: 588.67068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)C2C(C(N(C2C3=CC4=C(C=C3)OCO4)C(=O)C5CCC5)C(=O)O)C6=CC=C(C=C6)NC(=O)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)C2C(C(N(C2C3=CC4=C(C=C3)OCO4)C(=O)C5CCC5)C(=O)O)C6=CC=C(C=C6)NC(=O)C

InChI

InChI=1S/C32H32N2O7S/c1-16-13-23(17(2)42-16)30(36)27-26(19-7-10-22(11-8-19)33-18(3)35)29(32(38)39)34(31(37)20-5-4-6-20)28(27)21-9-12-24-25(14-21)41-15-40-24/h7-14,20,26-29H,4-6,15H2,1-3H3,(H,33,35)(H,38,39)