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

Systemtic Name: (2S,4R)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-phenylmethoxy-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-benzyloxy-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-phenylmethoxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-phenylmethoxypyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-benzoxy-proline Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C[C@@H](C[C@H]1C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H23NO5S/c1-12(11-25-13(2)20)17(21)19-9-15(8-16(19)18(22)23)24-10-14-6-4-3-5-7-14/h3-7,12,15-16H,8-11H2,1-2H3,(H,22,23)/t12?,15-,16+/m1/s1