Structure of MeCO-psi[NH-CO]Val-NHMe.
N,N'-Dimethylisopropylmalonamide, C8H16N2O2, Mr = 172.23, orthorhombic, Pbcm, a = 4.859 (1), b = 13.523 (2), c = 15,469 (2) A, V = 1016.4 A3, Z = 4, Dx = 1.12 g cm-3, lambda(Cu K alpha) = 1.5418 A, microRmax much less than 1, mu = 5.88 cm-1, F(000) = 376, T = 293 K, R = 0.060 for 665 observed reflections. Dimensions of this retropeptide molecule are quite similar to the standard values for peptides. The C alpha and C beta atoms are in a mirror (z = 1/4), so conformational angles are psi' = -psi = -110.4 degrees (2).
el-Masdouri
L
L
Laboratoire de minéralogie et cristallographie, UA CNRS 809, Université de Nancy I, France.
Aubry
A
A
Gomez
E
E
Vitoux
B
B
Marraud
M
M
D000595:Amino Acid Sequence; D003460:Crystallization; D008314:Malonates / Q000737:chemistry*; D008956:Models, Chemical; D008968:Molecular Conformation; D008969:Molecular Sequence Data; D010455:Peptides / Q000737:chemistry*; D014633:Valine / Q000031:analogs & derivatives* / Q000737:chemistry; D014961:X-Ray Diffraction
D008314:Malonates; D010455:Peptides; C075145:N,N'-dimethylisopropylmalonamide; D014633:Valine