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

Systemtic Name: (2S)-4-(3-fluorophenyl)-1-(2-methyl-3-sulfanyl-propanoyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-4-(3-fluorophenyl)-4-hydroxy-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-4-(3-fluorophenyl)-4-hydroxy-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-4-(3-fluorophenyl)-4-hydroxy-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-4-(3-fluorophenyl)-4-hydroxy-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C15H18FNO4S MolecularWeight: 327.371123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18FNO4S/c1-9(7-22)13(18)17-8-15(21,6-12(17)14(19)20)10-3-2-4-11(16)5-10/h2-5,9,12,21-22H,6-8H2,1H3,(H,19,20)/t9?,12-,15?/m0/s1