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CAS 331763-66-7

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(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenebutanoic acid

Description:
The chemical substance known as (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenebutanoic acid, with the CAS number 331763-66-7, is a synthetic organic compound characterized by its complex structure, which includes a fluorobenzene moiety and an amino acid derivative. This compound features a chiral center, indicated by the (βR) designation, which contributes to its stereochemical properties and potential biological activity. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it may be involved in protecting the amino group during synthetic processes. The fluorine atom in the benzene ring can enhance the compound's lipophilicity and influence its interaction with biological targets. As a result, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals. Its solubility, stability, and reactivity would depend on the specific conditions and solvents used. Overall, this compound exemplifies the intricate design often found in drug development, where modifications can significantly impact biological efficacy and pharmacokinetics.
Formula:C15H20FNO4
InChI:InChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-5-4-6-11(16)7-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChI key:InChIKey=ZKVPDNJRPDEQCZ-GFCCVEGCSA-N
SMILES:C([C@@H](NC(OC(C)(C)C)=O)CC(O)=O)C1=CC(F)=CC=C1
Synonyms:
  • (R)-3-((tert-Butoxycarbonyl)amino)-4-(3-fluorophenyl)butanoicacid
  • (R)-3-(tert-Butoxycarbonylamino)-4-(3-fluorophenyl)butanoic acid
  • (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenebutanoic acid
  • Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3-fluoro-, (βR)-
  • Boc-D-β-HoPhe(3-F)-OH
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