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note
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12. We found in our initial syntheses that these substrates undergo both extensive cis/trans epimerization and racemisation during the saponification when the amide group in the precursor was not alkylated It was also found that even the isolated pure cis-isomers of the acid amide 5 had to be converted immediately, as it racemised completely on conserving at low temperature for a prolonged period.
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16
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0017411710
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14. The atomic co-ordinates of the complex of human α-thrombin with PPACK were taken from the Brookhaven Protein Data Bank (data base designation 1 dwe), Bernstein, F.C.; Koetzle, T.F.; Williams G.J.B.; Meyer, E.F.; Brice, M.D.; Rodgers, J.R.; Kennard, O.; Shimanouchi, T., Tasumi, M., J. Mol. Biol., 1977, 112, 535.
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17
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0010338991
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note
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15. Discover™, Biosym Technologies Inc., San Diego, CA 92121-2777; the selected force field was CVFF, a dielectric constant dependent on distance of ε= 4 was used.
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