3-(4-tert-butylphenyl)-2-methyl-5-(3-methylthiophen-2-yl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-2-methyl-5-(3-methylthiophen-2-yl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-2-methyl-5-(3-methyl-2-thienyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-3-(4-tert-butylphenyl)-2-methyl-5-(3-methyl-2-thiophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-2-methyl-5-(3-methylthiophen-2-yl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-2-methyl-5-(3-methyl-2-thienyl)-1-(phenylcarbamoyl)-4-(2-thenoyl)proline Formula: C33H34N2O4S2 MolecularWeight: 586.76406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(C(N2C(=O)NC3=CC=CC=C3)(C)C(=O)O)C4=CC=C(C=C4)C(C)(C)C)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=C(SC=C1)C2C(C(C(N2C(=O)NC3=CC=CC=C3)(C)C(=O)O)C4=CC=C(C=C4)C(C)(C)C)C(=O)C5=CC=CS5

InChI

InChI=1S/C33H34N2O4S2/c1-20-17-19-41-29(20)27-25(28(36)24-12-9-18-40-24)26(21-13-15-22(16-14-21)32(2,3)4)33(5,30(37)38)35(27)31(39)34-23-10-7-6-8-11-23/h6-19,25-27H,1-5H3,(H,34,39)(H,37,38)