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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-cyclohexylcarbonyl-2-methyl-5-(3-methylthiophen-2-yl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-2-methyl-5-(3-methyl-2-thienyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-2-methyl-5-(3-methyl-2-thiophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-2-methyl-5-(3-methylthiophen-2-yl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(cyclohexanecarbonyl)-2-methyl-5-(3-methyl-2-thienyl)-3-(2-thienyl)proline Formula: C29H30ClNO4S2 MolecularWeight: 556.1358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3CCCCC3)(C)C(=O)O)C4=CC=CS4)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3CCCCC3)(C)C(=O)O)C4=CC=CS4)C(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H30ClNO4S2/c1-17-13-15-37-26(17)24-22(25(32)19-10-6-11-20(30)16-19)23(21-12-7-14-36-21)29(2,28(34)35)31(24)27(33)18-8-4-3-5-9-18/h6-7,10-16,18,22-24H,3-5,8-9H2,1-2H3,(H,34,35)