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

Systemtic Name: 3-(4-tert-butylphenyl)-1-cyclobutylcarbonyl-2-methyl-5-(3-methylthiophen-2-yl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(3-methyl-2-thienyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[cyclobutyl(oxo)methyl]-2-methyl-5-(3-methyl-2-thiophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(3-methylthiophen-2-yl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-(cyclobutanecarbonyl)-2-methyl-5-(3-methyl-2-thienyl)-4-(2-thenoyl)proline Formula: C31H35NO4S2 MolecularWeight: 549.7439

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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)C(C)(C)C)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3CCC3)(C)C(=O)O)C4=CC=C(C=C4)C(C)(C)C)C(=O)C5=CC=CS5

InChI

InChI=1S/C31H35NO4S2/c1-18-15-17-38-27(18)25-23(26(33)22-10-7-16-37-22)24(19-11-13-21(14-12-19)30(2,3)4)31(5,29(35)36)32(25)28(34)20-8-6-9-20/h7,10-17,20,23-25H,6,8-9H2,1-5H3,(H,35,36)