1-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoyl]piperidine-3-carboxylic acid CAS Name: 1-[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-[(2-amino-2-keto-ethyl)thio]propanoyl]nipecotic acid Formula: C11H18N2O4S MolecularWeight: 274.33662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCSCC(=O)N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCSCC(=O)N)C(=O)O

InChI

InChI=1S/C11H18N2O4S/c12-9(14)7-18-5-3-10(15)13-4-1-2-8(6-13)11(16)17/h8H,1-7H2,(H2,12,14)(H,16,17)