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CAS 101555-61-7

:

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

Description:
The chemical substance known as (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid, with the CAS number 101555-61-7, is a synthetic compound that belongs to the class of amino acids. It features a chiral center, which contributes to its stereochemistry, specifically the βR configuration. This compound contains a benzenebutanoic acid backbone, which is modified by the presence of a dimethylethoxycarbonyl group, enhancing its lipophilicity and potentially influencing its biological activity. The presence of the amino group indicates that it can participate in peptide bond formation, making it relevant in the context of peptide synthesis and drug development. Its structural complexity suggests potential applications in pharmaceuticals, particularly in the design of compounds that target specific biological pathways. Additionally, the compound's solubility and stability characteristics would be important for its practical applications in various chemical and biological contexts. Overall, this compound exemplifies the intricate relationship between structure and function in organic chemistry and medicinal chemistry.
Formula:C15H21NO4
InChI:InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChI key:InChIKey=ACKWQHCPHJQANL-GFCCVEGCSA-N
SMILES:[C@H](CC1=CC=CC=C1)(NC(OC(C)(C)C)=O)CC(O)=O
Synonyms:
  • (+)-(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenebutanoic acid
  • (3R)-3-[(2-Methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
  • (3R)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutanoic acid
  • (3R)-3-[[(tert-Butoxy)carbonyl]amino]-4-phenylbutanoic acid
  • (3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutanoic acid
  • (R)-3-(tert-Butoxycarbonylamino)-4-phenylbutanoic acid
  • Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-
  • Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
  • Boc-D-β-HoPhe-OH
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