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CAS 270062-93-6

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(βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methylbenzenebutanoic acid

Description:
The chemical substance known as (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methylbenzenebutanoic acid, with the CAS number 270062-93-6, is a synthetic organic compound that belongs to the class of amino acids and derivatives. It features a chiral center, indicated by the (βS) designation, which implies that it exists in a specific stereoisomeric form. The compound contains a butanoic acid moiety, which contributes to its acidic properties, and an amino group that is characteristic of amino acids. The presence of the 1,1-dimethylethoxycarbonyl group suggests that it may be used as a protecting group in peptide synthesis or other organic reactions. Additionally, the 3-methylbenzene substituent indicates that it has aromatic characteristics, which can influence its reactivity and interactions with other molecules. Overall, this compound's unique structure and functional groups make it of interest in medicinal chemistry and synthetic organic chemistry, particularly in the development of pharmaceuticals or biologically active compounds.
Formula:C16H23NO4
InChI:InChI=1S/C16H23NO4/c1-11-6-5-7-12(8-11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChI key:InChIKey=JTZSMOJWZPUZGN-ZDUSSCGKSA-N
SMILES:C([C@H](NC(OC(C)(C)C)=O)CC(O)=O)C1=CC(C)=CC=C1
Synonyms:
  • (3S)-3-[(tert-butoxycarbonyl)amino]-4-(3-methylphenyl)butanoic acid
  • Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-, (βS)-
  • Boc-L-3-Amino-4-(3-methylphenyl)-butyric acid
  • Boc-β-HoPhe(3-Me)-OH
  • (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methylbenzenebutanoic acid
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