(2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-(3-fluorophenyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-(3-fluorophenyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(3-fluorophenyl)-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-(3-fluorophenyl)-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-(3-fluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(3-fluorophenyl)-4-hydroxy-proline Formula: C17H20FNO5S MolecularWeight: 369.407803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)(C2=CC(=CC=C2)F)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CC(C[C@H]1C(=O)O)(C2=CC(=CC=C2)F)O

InChI

InChI=1S/C17H20FNO5S/c1-10(8-25-11(2)20)15(21)19-9-17(24,7-14(19)16(22)23)12-4-3-5-13(18)6-12/h3-6,10,14,24H,7-9H2,1-2H3,(H,22,23)/t10?,14-,17?/m0/s1