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

Systemtic Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-cyclohexylcarbonyl-4-(2,5-dimethylthiophen-3-yl)carbonyl-2-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-2-methyl-pyrrolidine-2-carboxylic acid CAS Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-[cyclohexyl(oxo)methyl]-4-[(2,5-dimethyl-3-thiophenyl)-oxomethyl]-2-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-2-methylpyrrolidine-2-carboxylic acid Traditional Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-2-methyl-proline Formula: C35H38N2O7S MolecularWeight: 630.75042

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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)C5CCCCC5)(C)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)C5CCCCC5)(C)C(=O)O)C6=CC=C(C=C6)NC(=O)C

InChI

InChI=1S/C35H38N2O7S/c1-19-16-26(20(2)45-19)32(39)29-30(22-10-13-25(14-11-22)36-21(3)38)35(4,34(41)42)37(33(40)23-8-6-5-7-9-23)31(29)24-12-15-27-28(17-24)44-18-43-27/h10-17,23,29-31H,5-9,18H2,1-4H3,(H,36,38)(H,41,42)