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CAS 270065-86-6

:

(βS)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

Description:
(βS)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid, with CAS number 270065-86-6, is a chemical 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 (βS) designation, which implies that it exists in a specific stereoisomeric form. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it may be involved in protecting amino functionalities during synthetic processes. The cyano group contributes to the compound's reactivity, potentially allowing for further chemical transformations. Additionally, the benzenebutanoic acid structure indicates that it may exhibit properties typical of aromatic carboxylic acids, such as solubility in organic solvents and potential interactions with biological systems. Overall, this compound may be of interest in pharmaceutical chemistry and organic synthesis due to its unique functional groups and stereochemistry.
Formula:C16H20N2O4
InChI:InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(9-14(19)20)8-11-5-4-6-12(7-11)10-17/h4-7,13H,8-9H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChI key:InChIKey=CYGNMSRSGBBZOE-ZDUSSCGKSA-N
SMILES:C([C@H](NC(OC(C)(C)C)=O)CC(O)=O)C1=CC(C#N)=CC=C1
Synonyms:
  • Benzenebutanoic acid, 3-cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βS)-
  • Boc-β-HoPhe(3-CN)-OH
  • (3S)-3-[(tert-butoxycarbonyl)amino]-4-(3-cyanophenyl)butanoic acid
  • (βS)-3-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
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