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

Autor
Torras, J.; Warren, J. G.; Revilla-López, G.; Jimenez, A.; Cativiela, C.; Aleman, C.
Tipus d'activitat
Article en revista
Revista
Biopolymers
Data de publicació
2014-03-21
Volum
102
Número
2
Pàgina inicial
176
Pàgina final
190
DOI
https://doi.org/10.1002/bip.22465 Obrir en finestra nova
URL
http://onlinelibrary.wiley.com/doi/10.1002/bip.22465/abstract Obrir en finestra nova
Resum
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...
Grup de recerca
CRnE - Centre de Recerca en Ciència i Enginyeria Multiescala de Barcelona
IMEM-BRT- Innovation in Materials and Molecular Engineering - Biomaterials for Regenerative Therapies

Participants