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CAS 959574-99-3

:

(αS,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxy-3-(trifluoromethyl)benzenepropanoic acid

Description:
The chemical substance known as (αS,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxy-3-(trifluoromethyl)benzenepropanoic acid, with the CAS number 959574-99-3, is a synthetic compound characterized by its complex structure, which includes a trifluoromethyl group and an amino acid derivative. This compound features a chiral center, indicated by the (αS,βS) notation, suggesting it exists in specific stereoisomeric forms that can exhibit different biological activities. The presence of the dimethylethoxycarbonyl group indicates that it may be used in peptide synthesis or as a protecting group in organic synthesis. The trifluoromethyl group enhances the lipophilicity and metabolic stability of the molecule, potentially influencing its pharmacokinetic properties. Overall, this compound is of interest in medicinal chemistry and drug development, particularly for its potential applications in targeting specific biological pathways or as a lead compound in the design of new therapeutics. Its unique structural features contribute to its reactivity and interaction with biological systems.
Formula:C15H18F3NO5
InChI:InChI=1S/C15H18F3NO5/c1-14(2,3)24-13(23)19-10(11(20)12(21)22)8-5-4-6-9(7-8)15(16,17)18/h4-7,10-11,20H,1-3H3,(H,19,23)(H,21,22)/t10-,11-/m0/s1
InChI key:InChIKey=YKKXYVBUZMXIKV-QWRGUYRKSA-N
SMILES:[C@@H](NC(OC(C)(C)C)=O)([C@@H](C(O)=O)O)C1=CC(C(F)(F)F)=CC=C1
Synonyms:
  • (αS,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxy-3-(trifluoromethyl)benzenepropanoic acid
  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-3-(trifluoromethyl)-, (αS,βS)-
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