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CAS 401916-48-1

:

(βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(1,1-dimethylethyl)benzenebutanoic acid

Description:
The chemical substance known as (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(1,1-dimethylethyl)benzenebutanoic acid, with CAS number 401916-48-1, is a synthetic compound that belongs to the class of amino acids and derivatives. It features a complex structure characterized by a benzenebutanoic acid backbone, which is substituted with a dimethylethoxycarbonyl group and an isopropyl group. This compound exhibits properties typical of amino acids, including the ability to participate in peptide bond formation, making it relevant in biochemical applications. Its stereochemistry, indicated by the (βR) designation, suggests specific spatial arrangements that can influence its biological activity and interactions. The presence of bulky substituents, such as the dimethylethyl groups, may affect its solubility and reactivity. Overall, this compound is of interest in medicinal chemistry and drug development, particularly for its potential role in modulating biological pathways or serving as a building block for more complex molecules.
Formula:C19H29NO4
InChI:InChI=1S/C19H29NO4/c1-18(2,3)14-9-7-13(8-10-14)11-15(12-16(21)22)20-17(23)24-19(4,5)6/h7-10,15H,11-12H2,1-6H3,(H,20,23)(H,21,22)/t15-/m1/s1
InChI key:InChIKey=VJXYUVJDZAIFHC-OAHLLOKOSA-N
SMILES:C(C)(C)(C)C1=CC=C(C[C@@H](NC(OC(C)(C)C)=O)CC(O)=O)C=C1
Synonyms:
  • (R)-3-((tert-Butoxycarbonyl)amino)-4-(4-(tert-butyl)phenyl)butanoic acid
  • (βR)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(1,1-dimethylethyl)benzenebutanoic acid
  • Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(1,1-dimethylethyl)-, (βR)-
  • (R)-3-(tert-Butoxycarbonylamino)-4-(4-tert-butylphenyl)butanoic acid
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