3-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[3-(methylthio)-1-oxopropyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[3-(methylthio)propanoyl]piperazino]propionic acid Formula: C11H20N2O3S MolecularWeight: 260.3531

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCN(CC1)CCC(=O)O

Isomeric SMILES

CSCCC(=O)N1CCN(CC1)CCC(=O)O

InChI

InChI=1S/C11H20N2O3S/c1-17-9-3-10(14)13-7-5-12(6-8-13)4-2-11(15)16/h2-9H2,1H3,(H,15,16)