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CAS 270065-89-9

:

(βS)-4-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

Description:
(βS)-4-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid, with CAS number 270065-89-9, is a synthetic organic compound characterized by its complex structure, which includes a cyano group, an amino group, and a carboxylic acid functionality. This compound features a chiral center, indicated by the (βS) designation, which implies that it exists as one of two enantiomers. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it may be used in various chemical reactions, particularly in peptide synthesis or as an intermediate in organic synthesis. The cyano group contributes to its reactivity, allowing for potential nucleophilic additions or substitutions. Additionally, the benzenebutanoic acid moiety indicates that it may exhibit properties typical of aromatic compounds, such as stability and potential for π-π interactions. Overall, this compound's unique functional groups and stereochemistry make it of interest in medicinal chemistry and synthetic organic chemistry applications.
Formula:C16H20N2O4
InChI:InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(9-14(19)20)8-11-4-6-12(10-17)7-5-11/h4-7,13H,8-9H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChI key:InChIKey=UXSGGQWSQPYJTQ-ZDUSSCGKSA-N
SMILES:[C@@H](CC1=CC=C(C#N)C=C1)(NC(OC(C)(C)C)=O)CC(O)=O
Synonyms:
  • (3S)-3-[(tert-butoxycarbonyl)amino]-4-(4-cyanophenyl)butanoic acid
  • (βS)-4-Cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
  • Benzenebutanoic acid, 4-cyano-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βS)-
  • Boc-β-HoPhe(4-CN)-OH
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