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

Systemtic Name: 3-(4-acetamidophenyl)-4-(2,5-dimethylthiophen-3-yl)carbonyl-1-(2-methoxyethanoyl)-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-acetamidophenyl)-4-(2,5-dimethylthiophene-3-carbonyl)-1-(2-methoxyacetyl)-5-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-acetamidophenyl)-4-[(2,5-dimethyl-3-thiophenyl)-oxomethyl]-1-(2-methoxy-1-oxoethyl)-5-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-acetamidophenyl)-4-(2,5-dimethylthiophene-3-carbonyl)-1-(2-methoxyacetyl)-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-acetamidophenyl)-4-(2,5-dimethylthiophene-3-carbonyl)-1-(2-methoxyacetyl)-5-(3-methyl-2-thienyl)proline Formula: C28H30N2O6S2 MolecularWeight: 554.6776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(C(N2C(=O)COC)C(=O)O)C3=CC=C(C=C3)NC(=O)C)C(=O)C4=C(SC(=C4)C)C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(C(N2C(=O)COC)C(=O)O)C3=CC=C(C=C3)NC(=O)C)C(=O)C4=C(SC(=C4)C)C

InChI

InChI=1S/C28H30N2O6S2/c1-14-10-11-37-27(14)24-23(26(33)20-12-15(2)38-16(20)3)22(18-6-8-19(9-7-18)29-17(4)31)25(28(34)35)30(24)21(32)13-36-5/h6-12,22-25H,13H2,1-5H3,(H,29,31)(H,34,35)