(2S,4S)-4-phenoxy-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-phenoxy-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-phenoxy-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-(3-mercapto-1-oxopropyl)-4-phenoxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-phenoxy-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-(3-mercaptopropanoyl)-4-phenoxy-proline Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)CCS)OC2=CC=CC=C2

Isomeric SMILES

C1[C@@H](CN([C@@H]1C(=O)O)C(=O)CCS)OC2=CC=CC=C2

InChI

InChI=1S/C14H17NO4S/c16-13(6-7-20)15-9-11(8-12(15)14(17)18)19-10-4-2-1-3-5-10/h1-5,11-12,20H,6-9H2,(H,17,18)/t11-,12-/m0/s1