5-(4-chlorophenyl)-1-cyclobutylcarbonyl-2-methyl-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-1-cyclobutylcarbonyl-2-methyl-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-2-methyl-4-(2-methylbenzoyl)-3-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-chlorophenyl)-1-[cyclobutyl(oxo)methyl]-2-methyl-4-[(2-methylphenyl)-oxomethyl]-3-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-2-methyl-4-(2-methylbenzoyl)-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-2-methyl-3-(3-methyl-2-thienyl)-4-o-toluoyl-proline Formula: C30H30ClNO4S MolecularWeight: 536.0815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(N(C2(C)C(=O)O)C(=O)C3CCC3)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(N(C2(C)C(=O)O)C(=O)C3CCC3)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CC=C5C

InChI

InChI=1S/C30H30ClNO4S/c1-17-7-4-5-10-22(17)26(33)23-24(27-18(2)15-16-37-27)30(3,29(35)36)32(28(34)20-8-6-9-20)25(23)19-11-13-21(31)14-12-19/h4-5,7,10-16,20,23-25H,6,8-9H2,1-3H3,(H,35,36)