2-(piperazin-1-ylmethyl)-3-sulfanyl-propanoic acid

Systemtic Name: 2-(piperazin-1-ylmethyl)-3-sulfanyl-propanoic acid Openeye Name: 2-(piperazin-1-ylmethyl)-3-sulfanyl-propanoic acid CAS Name: 2-(mercaptomethyl)-3-(1-piperazinyl)propanoic acid IUPAC Name: 2-(piperazin-1-ylmethyl)-3-sulfanylpropanoic acid Traditional Name: 2-(mercaptomethyl)-3-piperazino-propionic acid Formula: C8H16N2O2S MolecularWeight: 204.28984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC(CS)C(=O)O

Isomeric SMILES

C1CN(CCN1)CC(CS)C(=O)O

InChI

InChI=1S/C8H16N2O2S/c11-8(12)7(6-13)5-10-3-1-9-2-4-10/h7,9,13H,1-6H2,(H,11,12)