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X-Ray Structure, Conformational Analysis, Enantioseparation, and Determination of Absolute Configuration of the Mitotic Kinesin Eg5 Inhibitor Monastrol
The conformational features of the mitotic kinesin Eg5 inhibitor monastrol were investigated by computational (AM1, HF/3-21G ∗ ), X-ray diffraction, and NMR studies showing that monastrol is a conformationally highly flexible molecule. Racemic monastrol was resolved by direct enantioselective HPLC and the absolute configuration of the first eluting (S)-(+) enantiomer was established by CD spectroscopy.
Department of Alkali Halide Crystals, STC ‘Institute for Single Crystals’, National Academy of Sciences of Ukraine, 60 Lenina avenue, Khar'kov 310072, Ukraine