Understanding OxymaPure as a Peptide Coupling Additive: A Guide to New Oxyma Derivatives.

An in silico study, using the GALAS algorithm available in ACD/PhysChem Suite, was performed to calculate the p K a (s) of various oximes with potential application as peptide coupling additives. Among the known oximes and predicted structures, OxymaPure is superior based on the p K a values calculated, confirming the results described in the literature and validating this algorithm for further use in that field. Among the nondescribed oximes, based on p K a calculation, ethyl 2-(hydroxyimino)-2-nitroacetate seems to be a potential candidate to be used as an additive during peptide coupling.