3-[4-(2-tert-butylsulfanylethanoyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(2-tert-butylsulfanylethanoyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2-tert-butylsulfanylacetyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-(tert-butylthio)-1-oxoethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2-tert-butylsulfanylacetyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-(tert-butylthio)acetyl]piperazino]propionic acid Formula: C13H24N2O3S MolecularWeight: 288.40626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N2O3S/c1-13(2,3)19-10-11(16)15-8-6-14(7-9-15)5-4-12(17)18/h4-10H2,1-3H3,(H,17,18)