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

Systemtic Name: (2S)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-hydroxy-4-methyl-pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-hydroxy-4-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-hydroxy-4-methylpyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-hydroxy-4-methyl-proline Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CC(C[C@H]1C(=O)O)(C)O

InChI

InChI=1S/C12H19NO5S/c1-7(5-19-8(2)14)10(15)13-6-12(3,18)4-9(13)11(16)17/h7,9,18H,4-6H2,1-3H3,(H,16,17)/t7?,9-,12?/m0/s1