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

Systemtic Name: (2S,4R)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-phenethyloxy-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-phenethyloxy-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-phenethyloxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-phenethyloxypyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-phenethyloxy-proline Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C[C@@H](C[C@H]1C(=O)O)OCCC2=CC=CC=C2

InChI

InChI=1S/C19H25NO5S/c1-13(12-26-14(2)21)18(22)20-11-16(10-17(20)19(23)24)25-9-8-15-6-4-3-5-7-15/h3-7,13,16-17H,8-12H2,1-2H3,(H,23,24)/t13?,16-,17+/m1/s1