甲基羰基 - 甘氨酸 ψ[NH - CO]NHMe 的结构
Structure of MeCO-Gly psi [NH-CO]NHMe.
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):176-8. doi: 10.1107/s0108270191008120.
N,N'-Methylenediacetamide, C5H10N2O2, Mr = 130.15, orthorhombic, Pna2(1), a = 17.218 (1), b = 4.489 (1), c = 18.124 (1) A, V = 1400.8 A3, Z = 8, D chi = 1.23 g cm-3, lambda(Cu K alpha) = 1.5418 A, mu Rmax much less than 1, mu = 7.19 cm-1, F(000) = 560, T = 293 K, R = 0.044 for 1318 observed reflections. This retro-peptide molecule assumes two nearly identical conformational states (A phi = 93.2, phi' = 77.0; B phi = 90.6, phi' = 79.6 degrees) with planar trans amide functions. The bond lengths and bond angles are very close to the standard dimensions of the peptide group.
N,N'-亚甲基二乙酰胺，C5H10N2O2，Mr = 130.15，正交晶系，Pna2(1)，a = 17.218 (1)，b = 4.489 (1)，c = 18.124 (1) Å，V = 1400.8 Å3，Z = 8，Dχ = 1.23 g cm-3，λ(Cu Kα) = 1.5418 Å，μRmax远小于1，μ = 7.19 cm-1，F(000) = 560，T = 293 K，对于1318个观测反射，R = 0.044。这个反向肽分子呈现出两种几乎相同的构象状态（A：φ = 93.2，φ' = 77.0；B：φ = 90.6，φ' = 79.6度），具有平面反式酰胺功能。键长和键角非常接近肽基的标准尺寸。
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