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

Systemtic Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-cyclopropylcarbonyl-4-(2,5-dimethylthiophen-3-yl)carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-[cyclopropyl(oxo)methyl]-4-[(2,5-dimethyl-3-thiophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)proline Formula: C31H30N2O7S MolecularWeight: 574.6441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)C2C(C(N(C2C3=CC4=C(C=C3)OCO4)C(=O)C5CC5)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)C5CC5)C(=O)O)C6=CC=C(C=C6)NC(=O)C

InChI

InChI=1S/C31H30N2O7S/c1-15-12-22(16(2)41-15)29(35)26-25(18-6-9-21(10-7-18)32-17(3)34)28(31(37)38)33(30(36)19-4-5-19)27(26)20-8-11-23-24(13-20)40-14-39-23/h6-13,19,25-28H,4-5,14H2,1-3H3,(H,32,34)(H,37,38)