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CAS 270596-51-5

:

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

Description:
The chemical substance known as (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenebutanoic acid, with the CAS number 270596-51-5, 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 (βS) designation, which contributes to its stereochemistry and potential biological activity. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it may be used as a protecting group in peptide synthesis or other organic reactions. The fluorine atom in the benzene ring can enhance the compound's lipophilicity and influence its interaction with biological targets. Additionally, the carboxylic acid functional group indicates potential for forming salts or participating in acid-base reactions. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. Its unique structural features make it a subject of interest for further research and development.
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-/m0/s1
InChI key:InChIKey=ZKVPDNJRPDEQCZ-LBPRGKRZSA-N
SMILES:C([C@H](NC(OC(C)(C)C)=O)CC(O)=O)C1=CC(F)=CC=C1
Synonyms:
  • (3S)-3-[(tert-butoxycarbonyl)amino]-4-(3-fluorophenyl)butanoic acid
  • (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenebutanoic acid
  • Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3-fluoro-, (βS)-
  • Boc-L-3-Amino-4-(3-fluorophenyl)-butyric acid
  • Boc-β-HoPhe(3-F)-OH
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