3-[4-(2-propan-2-ylsulfanylethanoyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(2-propan-2-ylsulfanylethanoyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2-isopropylsulfanylacetyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[1-oxo-2-(propan-2-ylthio)ethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2-propan-2-ylsulfanylacetyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(isopropylthio)acetyl]piperazino]propionic acid Formula: C12H22N2O3S MolecularWeight: 274.37968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)N1CCN(CC1)CCC(=O)O

Isomeric SMILES

CC(C)SCC(=O)N1CCN(CC1)CCC(=O)O

InChI

InChI=1S/C12H22N2O3S/c1-10(2)18-9-11(15)14-7-5-13(6-8-14)4-3-12(16)17/h10H,3-9H2,1-2H3,(H,16,17)