1-[3-(methylcarbamothioylsulfanyl)propanoyl]-5-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[3-(methylcarbamothioylsulfanyl)propanoyl]-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 5-hydroxy-1-[3-(methylcarbamothioylsulfanyl)propanoyl]piperidine-2-carboxylic acid CAS Name: 5-hydroxy-1-[3-[[methylamino(sulfanylidene)methyl]thio]-1-oxopropyl]-2-piperidinecarboxylic acid IUPAC Name: 5-hydroxy-1-[3-(methylcarbamothioylsulfanyl)propanoyl]piperidine-2-carboxylic acid Traditional Name: 5-hydroxy-1-[3-(methylthiocarbamoylthio)propanoyl]pipecolinic acid Formula: C11H18N2O4S2 MolecularWeight: 306.40162

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)SCCC(=O)N1CC(CCC1C(=O)O)O

Isomeric SMILES

CNC(=S)SCCC(=O)N1CC(CCC1C(=O)O)O

InChI

InChI=1S/C11H18N2O4S2/c1-12-11(18)19-5-4-9(15)13-6-7(14)2-3-8(13)10(16)17/h7-8,14H,2-6H2,1H3,(H,12,18)(H,16,17)