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(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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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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 |
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. |
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