3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-cyclobutylcarbonyl-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-cyclobutylcarbonyl-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-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-2-methyl-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-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-2-methylpyrrolidine-2-carboxylic acid Traditional Name: 3-(4-acetamidophenyl)-5-(1,3-benzodioxol-5-yl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-2-methyl-proline Formula: C33H34N2O7S MolecularWeight: 602.69726

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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)C5CCC5)(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)C5CCC5)(C)C(=O)O)C6=CC=C(C=C6)NC(=O)C

InChI

InChI=1S/C33H34N2O7S/c1-17-14-24(18(2)43-17)30(37)27-28(20-8-11-23(12-9-20)34-19(3)36)33(4,32(39)40)35(31(38)21-6-5-7-21)29(27)22-10-13-25-26(15-22)42-16-41-25/h8-15,21,27-29H,5-7,16H2,1-4H3,(H,34,36)(H,39,40)