Ootaki Masanori, Nawa Yukino, Hiroi Tomoko, Matsui Hiroaki, Sugawara Yoko
Institute of Radioisotope Research, St. Marianna University Graduate School of Medicine, 2-16-1 Sugao, Miyamae-ku, Kawasaki, Kanagawa 216-8511, Japan.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 5;69(Pt 5):o660. doi: 10.1107/S1600536813008490. Print 2013 May 1.
In the title compound, C10H19N3O4, the N- and C-termini are protonated and ionized, respectively, and the mol-ecule forms a zwitterion. The main chain is in a folded form. In the crystal, the N-terminal -NH3 (+) group hydrogen bonds to three C-terminal -COO groups and one carbonyl O atom, forming a three-dimensional network. In addition, an N-H⋯O hydrogen bond between the amide groups of the middle glycine residue and a C-H⋯O inter-action continue along the a-axis direction. The side chains of the leucyl residues form a hydro-phobic region along the a axis.
在标题化合物C₁₀H₁₉N₃O₄中，N端和C端分别被质子化和离子化，分子形成两性离子。主链呈折叠形式。在晶体中，N端的 -NH₃(+)基团与三个C端的 -COO基团和一个羰基O原子形成氢键，构成三维网络。此外，中间甘氨酸残基的酰胺基团之间的N-H⋯O氢键以及C-H⋯O相互作用沿a轴方向延续。亮氨酰残基的侧链沿a轴形成一个疏水区域。
