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CAS 479064-96-5

:

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

Description:
The chemical substance known as (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-methylbenzenepropanoic acid, with the CAS number 479064-96-5, is an amino acid derivative characterized by its unique structural features. This compound contains a chiral center, indicated by the (βS) designation, which contributes to its stereochemistry and potential biological activity. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it may be used as a protecting group in peptide synthesis, enhancing its utility in organic chemistry. The 4-methylbenzene moiety indicates that the compound has aromatic characteristics, which can influence its solubility and reactivity. Additionally, the propanoic acid functional group provides acidic properties, making it relevant in various biochemical contexts. Overall, this compound's structural complexity and functional groups suggest potential applications in pharmaceuticals, particularly in the development of peptide-based drugs or as intermediates in organic synthesis.
Formula:C15H21NO4
InChI:InChI=1S/C15H21NO4/c1-10-5-7-11(8-6-10)12(9-13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI key:InChIKey=MBWMIEZHOLGJBM-LBPRGKRZSA-N
SMILES:[C@H](NC(OC(C)(C)C)=O)(CC(O)=O)C1=CC=C(C)C=C1
Synonyms:
  • (3S)-3-[[(tert-Butoxy)carbonyl]amino]-3-(4-methylphenyl)propanoic acid
  • (S)-3-((tert-Butoxycarbonyl)amino)-3-(p-tolyl)propanoicacid
  • (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-methylbenzenepropanoic acid
  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, (βS)-
  • Boc-?-S-4-Methylphenylalanine
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