3-(4-cyanophenyl)-1-cyclohexylcarbonyl-5-pyridin-3-yl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-1-cyclohexylcarbonyl-5-pyridin-3-yl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-5-(3-pyridyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-[cyclohexyl(oxo)methyl]-4-[oxo(thiophen-2-yl)methyl]-5-(3-pyridinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-5-pyridin-3-yl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-5-(3-pyridyl)-4-(2-thenoyl)proline Formula: C29H27N3O4S MolecularWeight: 513.60738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2C(C(C(C2C(=O)O)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)N2C(C(C(C2C(=O)O)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CN=CC=C5

InChI

InChI=1S/C29H27N3O4S/c30-16-18-10-12-19(13-11-18)23-24(27(33)22-9-5-15-37-22)25(21-8-4-14-31-17-21)32(26(23)29(35)36)28(34)20-6-2-1-3-7-20/h4-5,8-15,17,20,23-26H,1-3,6-7H2,(H,35,36)