Cargando…

(RSS)-[N-Hydroxyethyloxy]-hexafluoroVal–MeLeu–Ala tert-butyl ester

The title compound [systematic name: (2S,5S,8R)-tert-butyl 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-12-hydroxy-5-isobutyl-2,6-dimethyl-4,7-dioxo-10-oxa-3,6,9-triazadodecanoate], C(21)H(36)F(6)N(3)O(6), is a tripeptide crystallizing in the chiral ortho­rhom­bic spacegroup P2(1)2(1)2(1). The absolute con...

Descripción completa

Detalles Bibliográficos
Autores principales: Eberle, Marcel K., Stoeckli-Evans, Helen, Keese, Reinhart
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971084/
https://www.ncbi.nlm.nih.gov/pubmed/21578482
http://dx.doi.org/10.1107/S1600536809042974
Descripción
Sumario:The title compound [systematic name: (2S,5S,8R)-tert-butyl 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-12-hydroxy-5-isobutyl-2,6-dimethyl-4,7-dioxo-10-oxa-3,6,9-triazadodecanoate], C(21)H(36)F(6)N(3)O(6), is a tripeptide crystallizing in the chiral ortho­rhom­bic spacegroup P2(1)2(1)2(1). The absolute configuration (R) of the chiral center in the hexa­fluoro­valine unit is based on the known stereochemistry of MeLeu and Ala (SS). The N-hydroxy­ethyl­oxy substituent of hexa­fluoro­valine is positionally disordered [occupancy ratio 0.543 (9):0.457 (9)]. In the solid state structure there are N—H⋯F and N—H⋯O intra­molecular hydrogen bonds supporting the coiled structure of this tripeptide with the three hydro­phobic substituents on the outside.