✦ LIBER ✦
Determination of the three-dimensional, solution-phase structure of the macrolide antibiotic oxolide in CD2Cl2 and D2O from NMR constraints
✍ Scribed by Wayne E. Steinmetz; Andrew Sparrow; Ma Somsouk
- Publisher
- John Wiley and Sons
- Year
- 2004
- Tongue
- English
- Weight
- 509 KB
- Volume
- 43
- Category
- Article
- ISSN
- 0749-1581
- DOI
- 10.1002/mrc.1499
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✦ Synopsis
Abstract
The three‐dimensional structure of the antibiotic oxolide, (9__S__,11S)‐11‐amino‐9‐deoxo‐11,12‐deoxy‐9,12‐epoxyerythromycin, was determined in CD~2~Cl~2~ through constrained molecular mechanics with constraints derived from proton NMR. The calculations yielded a well‐defined global minimum. Data acquired for oxolide in D~2~O, although not as complete, indicate that the antibiotic adopts the same conformation in water. Copyright © 2004 John Wiley & Sons, Ltd.