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

Systemtic Name: 3-(4-acetamidophenyl)-1-cyclobutylcarbonyl-4-(2,5-dimethylthiophen-3-yl)carbonyl-2-methyl-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-acetamidophenyl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-2-methyl-5-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-acetamidophenyl)-1-[cyclobutyl(oxo)methyl]-4-[(2,5-dimethyl-3-thiophenyl)-oxomethyl]-2-methyl-5-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-acetamidophenyl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-2-methyl-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-acetamidophenyl)-1-(cyclobutanecarbonyl)-4-(2,5-dimethylthiophene-3-carbonyl)-2-methyl-5-(3-methyl-2-thienyl)proline Formula: C31H34N2O5S2 MolecularWeight: 578.74206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3CCC3)(C)C(=O)O)C4=CC=C(C=C4)NC(=O)C)C(=O)C5=C(SC(=C5)C)C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3CCC3)(C)C(=O)O)C4=CC=C(C=C4)NC(=O)C)C(=O)C5=C(SC(=C5)C)C

InChI

InChI=1S/C31H34N2O5S2/c1-16-13-14-39-28(16)26-24(27(35)23-15-17(2)40-18(23)3)25(20-9-11-22(12-10-20)32-19(4)34)31(5,30(37)38)33(26)29(36)21-7-6-8-21/h9-15,21,24-26H,6-8H2,1-5H3,(H,32,34)(H,37,38)