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CAS 269726-80-9

:

(βR)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

Description:
(βR)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid, with the CAS number 269726-80-9, is a synthetic organic compound characterized by its complex structure, which includes a cyano group, an amino group, and a benzenebutanoic acid moiety. 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 used as a protecting group in organic synthesis, particularly in peptide chemistry. The cyano group can participate in various chemical reactions, including nucleophilic additions and cycloadditions, making this compound versatile in synthetic applications. Its solubility and reactivity can be influenced by the functional groups present, which may also affect its interactions in biological systems. Overall, this compound is of interest in medicinal chemistry and drug development due to its potential pharmacological properties and applications in synthetic methodologies.
Formula:C16H20N2O4
InChI:InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(9-14(19)20)8-11-6-4-5-7-12(11)10-17/h4-7,13H,8-9H2,1-3H3,(H,18,21)(H,19,20)/t13-/m1/s1
InChI key:InChIKey=HBMUTHPYXNFHBB-CYBMUJFWSA-N
SMILES:C([C@@H](NC(OC(C)(C)C)=O)CC(O)=O)C1=C(C#N)C=CC=C1
Synonyms:
  • (3R)-3-[(tert-butoxycarbonyl)amino]-4-(2-cyanophenyl)butanoic acid
  • (βR)-2-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
  • Benzenebutanoic acid, 2-cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
  • Boc-D-β-HoPhe(2-CN)-OH
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