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

Systemtic Name: 3-(4-tert-butylphenyl)-5-(3-methylthiophen-2-yl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-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)-5-(3-methyl-2-thiophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-5-(3-methylthiophen-2-yl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-5-(3-methyl-2-thienyl)-1-(phenylcarbamoyl)-4-(2-thenoyl)proline Formula: C32H32N2O4S2 MolecularWeight: 572.73748

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H32N2O4S2/c1-19-16-18-40-29(19)26-25(28(35)23-11-8-17-39-23)24(20-12-14-21(15-13-20)32(2,3)4)27(30(36)37)34(26)31(38)33-22-9-6-5-7-10-22/h5-18,24-27H,1-4H3,(H,33,38)(H,36,37)