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Solvent-induced conformational flexibility of a bicyclic proline analogue: Octahydroindole-2-carboxylic acid

Author
Torras, J.; Warren, J. G.; Revilla-López, G.; Jimenez, A.; Cativiela, C.; Aleman, C.
Type of activity
Journal article
Journal
Biopolymers
Date of publication
2014-03-21
Volume
102
Number
2
First page
176
Last page
190
DOI
https://doi.org/10.1002/bip.22465 Open in new window
URL
http://onlinelibrary.wiley.com/doi/10.1002/bip.22465/abstract Open in new window
Abstract
The conformational preferences of the N-acetyl-N'-methylamide derivatives of the four octahydroindole-2-carboxylic acid (Oic) stereoisomers have been investigated in the gas-phase and in aqueous solution using quantum mechanical calculations. In addition to the conformational effects provoked by the stereochemical diversity of Oic, which presents three chiral centers, results provide evidence of interesting and rather unusual features. The conformational preferences of the Oic stereoisomers in s...
Group of research
CRnE - Barcelona Research Center in Multiscale Science and Engineering
IMEM-BRT - Innovation in Materials and Molecular Engineering - Biomaterials for Regenerative Therapies

Participants