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CAS 959576-03-5

:

(αS,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxy-4-methylbenzenepropanoic acid

Description:
The chemical substance known as "(αS,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxy-4-methylbenzenepropanoic acid," with the CAS number 959576-03-5, is a chiral compound characterized by its specific stereochemistry, indicated by the (αS,βS) configuration. This compound features a β-amino acid structure, which includes a hydroxy group and a 4-methylbenzene moiety, contributing to its potential biological activity. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it may be used as a protecting group in synthetic organic chemistry, particularly in peptide synthesis. The compound's solubility, stability, and reactivity can be influenced by its functional groups, making it of interest in medicinal chemistry and drug development. Its chirality may also play a crucial role in its interaction with biological targets, potentially affecting its pharmacological properties. Overall, this compound exemplifies the complexity and specificity often found in bioactive molecules.
Formula:C15H21NO5
InChI:InChI=1S/C15H21NO5/c1-9-5-7-10(8-6-9)11(12(17)13(18)19)16-14(20)21-15(2,3)4/h5-8,11-12,17H,1-4H3,(H,16,20)(H,18,19)/t11-,12-/m0/s1
InChI key:InChIKey=DROMKHRRVLLBPM-RYUDHWBXSA-N
SMILES:[C@@H](NC(OC(C)(C)C)=O)([C@@H](C(O)=O)O)C1=CC=C(C)C=C1
Synonyms:
  • (αS,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxy-4-methylbenzenepropanoic acid
  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-4-methyl-, (αS,βS)-
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