叔丁基羰基 - 缬氨酸ψ[NH - CO]NH叔丁基的结构
Structure of tBuCO-Val psi [NH-CO]NHtBu.
作者信息
el-Masdouri L, Aubry A, Gomez E, Vitoux B, Marraud M
机构信息
Laboratoire de minéralogie et cristallographie, UA CNRS 809, Université de Nancy I, France.
出版信息
Acta Crystallogr C. 1992 Jan 15;48 ( Pt 1):175-6. doi: 10.1107/s0108270191008119.
N-Isobutylidenedipivalamide, C14H28N2O2, Mr = 256.39, orthorhombic, P2(1)2(1)2(1), a = 16.656 (2), b = 9.751 (2), c = 10.583 (2) A, V = 1718.8 A3, Z = 4, D chi = 0.99 g cm-3, lambda(Cu K alpha) = 1.5418 A, mu = 4.56 cm-1, mu Rmax much less than 1, F(000) = 568, T = 293 K, R = 0.081 for 887 observed reflections. The geometrical parameters of this retro-peptide molecule are quite similar to the standard values for peptides. Conformational angles are phi = -101 (1), phi' = 99 (1) degrees.
N-异亚丁基二新戊酰胺，化学式为C14H28N2O2，相对分子质量Mr = 256.39，正交晶系，空间群P2(1)2(1)2(1)，a = 16.656 (2) Å，b = 9.751 (2) Å，c = 10.583 (2) Å，晶胞体积V = 1718.8 Å3，Z = 4，晶体密度Dχ = 0.99 g cm-3，铜Kα射线波长λ(Cu Kα) = 1.5418 Å，线性吸收系数μ = 4.56 cm-1，μRmax远小于1，F(000) = 568，温度T = 293 K，对887个观测反射的R值为0.081。该逆肽分子的几何参数与肽的标准值非常相似。构象角为φ = -101 (1)，φ' = 99 (1)度。
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