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CAS 270063-54-2

:

(βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,4-difluorobenzenebutanoic acid

Description:
The chemical substance known as (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,4-difluorobenzenebutanoic acid, with the CAS number 270063-54-2, is characterized by its complex molecular structure, which includes a butanoic acid moiety, a difluorobenzene ring, and a dimethylethoxycarbonyl group. This compound is likely to exhibit properties typical of amino acids and carboxylic acids, such as the ability to form hydrogen bonds and participate in various chemical reactions. The presence of fluorine atoms in the benzene ring can influence its reactivity and polarity, potentially enhancing its biological activity or pharmacological properties. Additionally, the dimethylethoxycarbonyl group may provide steric hindrance, affecting the compound's interaction with biological targets. The stereochemistry indicated by the (βS) designation suggests specific spatial arrangements that can be crucial for its biological function. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features and potential biological activity.
Formula:C15H19F2NO4
InChI:InChI=1S/C15H19F2NO4/c1-15(2,3)22-14(21)18-10(8-13(19)20)6-9-4-5-11(16)12(17)7-9/h4-5,7,10H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChI key:InChIKey=XZGBRONJONQTTA-JTQLQIEISA-N
SMILES:[C@@H](CC1=CC(F)=C(F)C=C1)(NC(OC(C)(C)C)=O)CC(O)=O
Synonyms:
  • (3S)-3-[(tert-butoxycarbonyl)amino]-4-(3,4-difluorophenyl)butanoic acid
  • (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3,4-difluorobenzenebutanoic acid
  • Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3,4-difluoro-, (βS)-
  • Boc-L-3-Amino-4-(3,4-difluorophenyl)-butyric acid
  • Boc-β-HoPhe(3,4-DiF)-OH
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