3-[4-[2-(cyanomethylsulfanyl)ethanoyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-(cyanomethylsulfanyl)ethanoyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(cyanomethylsulfanyl)acetyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-(cyanomethylthio)-1-oxoethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-(cyanomethylsulfanyl)acetyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(cyanomethylthio)acetyl]piperazino]propionic acid Formula: C11H17N3O3S MolecularWeight: 271.33598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)CSCC#N

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)CSCC#N

InChI

InChI=1S/C11H17N3O3S/c12-2-8-18-9-10(15)14-6-4-13(5-7-14)3-1-11(16)17/h1,3-9H2,(H,16,17)