1-(3-ethanoylsulfanylpropanoyl)-4-methyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanylpropanoyl)-4-methyl-piperazine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-4-methyl-piperazine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-4-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-4-methylpiperazine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-4-methyl-piperazine-2-carboxylic acid Formula: C11H18N2O4S MolecularWeight: 274.33662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1CCN(CC1C(=O)O)C

Isomeric SMILES

CC(=O)SCCC(=O)N1CCN(CC1C(=O)O)C

InChI

InChI=1S/C11H18N2O4S/c1-8(14)18-6-3-10(15)13-5-4-12(2)7-9(13)11(16)17/h9H,3-7H2,1-2H3,(H,16,17)