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CAS 500770-66-1

:

(βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-thiophenepropanoic acid

Description:
The chemical substance known as (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-thiophenepropanoic acid, with the CAS number 500770-66-1, is an amino acid derivative characterized by the presence of a thiophene ring, which contributes to its unique properties. This compound features a β-amino acid structure, where the amino group is positioned on the β-carbon relative to the carboxylic acid functional group. The dimethylethoxycarbonyl group serves as a protective group for the amino functionality, enhancing the compound's stability and solubility in organic solvents. Its thiophene moiety may impart specific electronic and steric characteristics, making it potentially useful in various applications, including pharmaceuticals and agrochemicals. The stereochemistry indicated by the (βS) designation suggests a specific spatial arrangement of atoms, which can influence the compound's biological activity and interactions. Overall, this compound exemplifies the complexity and diversity of amino acid derivatives in organic chemistry.
Formula:C12H17NO4S
InChI:InChI=1S/C12H17NO4S/c1-12(2,3)17-11(16)13-8(7-10(14)15)9-5-4-6-18-9/h4-6,8H,7H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChI key:InChIKey=NKASXWOGBMOZJB-QMMMGPOBSA-N
SMILES:[C@H](NC(OC(C)(C)C)=O)(CC(O)=O)C1=CC=CS1
Synonyms:
  • (3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-thienyl)propanoic acid
  • (3S)-3-[[(tert-Butoxy)carbonyl]amino]-3-(thiophen-2-yl)propanoic acid
  • (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-thiophenepropanoic acid
  • 2-Thiophenepropanoic Acid, Beta-[[(1,1-Dimethylethoxy)Carbonyl]Amino]-
  • 2-Thiophenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βS)-
  • 2-thiophenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)-
  • 3-[(tert-Butoxycarbonyl)amino]-3-(2-thienyl)propanoic acid
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