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

Systemtic Name: (2S,4S)-1-(3-ethanoylsulfanylpropanoyl)-4-phenoxy-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(3-acetylsulfanylpropanoyl)-4-phenoxy-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[3-(acetylthio)-1-oxopropyl]-4-phenoxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(3-acetylsulfanylpropanoyl)-4-phenoxypyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[3-(acetylthio)propanoyl]-4-phenoxy-proline Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1CC(CC1C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5S/c1-11(18)23-8-7-15(19)17-10-13(9-14(17)16(20)21)22-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3,(H,20,21)/t13-,14-/m0/s1