The molecule is a dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of Cys(IAN)-Gly; major species at pH 7.3. It is a tautomer of a Cys(IAN)-Gly.
2-[[(2R)-2-azaniumyl-3-[cyano(1H-indol-3-yl)methyl]sulfanylpropanoyl]amino]acetate