1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-ethyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4-ethyl-piperazine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-ethyl-piperazine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-ethyl-2-piperazinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanyl-2-methylpropanoyl)-4-ethylpiperazine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-2-methyl-propanoyl]-4-ethyl-piperazine-2-carboxylic acid Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(C1)C(=O)O)C(=O)C(C)CSC(=O)C

Isomeric SMILES

CCN1CCN(C(C1)C(=O)O)C(=O)C(C)CSC(=O)C

InChI

InChI=1S/C13H22N2O4S/c1-4-14-5-6-15(11(7-14)13(18)19)12(17)9(2)8-20-10(3)16/h9,11H,4-8H2,1-3H3,(H,18,19)