(2S,4S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-(4-fluoranylphenoxy)pyrrolidine-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)F

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC=C(C=C2)F

InChI

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