Predicting hydration propensities of biologically relevant α-ketoamides

[Display omitted] Quantum chemical calculations coupled to experiments were used to predict covalent hydration propensities of biologically relevant α-ketoamides. Experimentally determined hydration equilibrium constants for related ketones and aldehydes were compared to computationally determined v...

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Veröffentlicht in:	Bioorganic & medicinal chemistry letters 2015-10, Vol.25 (19), p.4153-4157
Hauptverfasser:	Wedler, Henry B., Palazzo, Teresa A., Pemberton, Ryan P., Hamann, Christian S., Kurth, Mark J., Tantillo, Dean J.
Format:	Artikel
Sprache:	eng
Schlagworte:	Amides - chemistry Density functional theory Hydration propensity Models, Molecular Molecular Structure Predictive methods Quantum Theory Theory versus experiment Water - chemistry α-Ketoamide
Online-Zugang:	Volltext
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