1-[2-(phenylcarbonylsulfanyl)-1-propan-2-yl-cyclopentyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(phenylcarbonylsulfanyl)-1-propan-2-yl-cyclopentyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(2-benzoylsulfanyl-1-isopropyl-cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-(benzoylthio)-1-propan-2-ylcyclopentyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-benzoylsulfanyl-1-propan-2-ylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(benzoylthio)-1-isopropyl-cyclopentanecarbonyl]proline Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCCC1SC(=O)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC(C)C1(CCCC1SC(=O)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C21H27NO4S/c1-14(2)21(20(26)22-13-7-10-16(22)18(23)24)12-6-11-17(21)27-19(25)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3,(H,23,24)