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

Systemtic Name: 5-(4-chlorophenyl)-1-cyclobutylcarbonyl-4-(2-methylphenyl)carbonyl-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-4-(2-methylbenzoyl)-3-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-chlorophenyl)-1-[cyclobutyl(oxo)methyl]-4-[(2-methylphenyl)-oxomethyl]-3-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-4-(2-methylbenzoyl)-3-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-1-(cyclobutanecarbonyl)-3-(3-methyl-2-thienyl)-4-o-toluoyl-proline Formula: C29H28ClNO4S MolecularWeight: 522.05492

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H28ClNO4S/c1-16-6-3-4-9-21(16)26(32)22-23(27-17(2)14-15-36-27)25(29(34)35)31(28(33)19-7-5-8-19)24(22)18-10-12-20(30)13-11-18/h3-4,6,9-15,19,22-25H,5,7-8H2,1-2H3,(H,34,35)