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- W1917265551 abstract "This article describes some of the typical structural problems encountered in medicinal chemistry and how they can be solved by NMR spectroscopy. Proton–carbon chemical shift correlations, in conjunction with 13C NMR chemical shift predictions, are shown to be useful in determining constitution. Similarly, problems of relative stereochemistry can be solved using 1H–1H through-space correlations observed in ROESY spectra. In instances, where 1H NMR spectra are complicated by the presence of more than one species in solution, variable temperature NMR can be applied to unravel structural issues and understand dynamic behavior.Keywords:TIC10;bosutinib;13C NMR chemical shift prediction;HSQC;HMBC;COSY;ROESY;vasopressin V1a antagonist;gp120-CD4 interaction inhibitor;atropisomerism" @default.
- W1917265551 created "2016-06-24" @default.
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- W1917265551 date "2015-06-14" @default.
- W1917265551 modified "2023-09-26" @default.
- W1917265551 title "NMR-based Structure Determination of Drug Leads and Candidates" @default.
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- W1917265551 doi "https://doi.org/10.1002/9780470034590.emrstm1406" @default.
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