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CAS 500770-83-2

:

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

Description:
The chemical substance known as (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-nitrobenzenepropanoic acid, with the CAS number 500770-83-2, is a synthetic organic compound that features a complex structure characterized by the presence of a nitro group, an amino group, and a carboxylic acid functional group. This compound is likely to exhibit properties typical of amino acids, including the ability to participate in hydrogen bonding due to its polar functional groups. The presence of the dimethylethoxycarbonyl group suggests that it may be used as a protecting group in organic synthesis, particularly in peptide chemistry. Additionally, the nitro group can impart unique reactivity, making it a potential candidate for various chemical transformations. The stereochemistry indicated by the (βS) designation suggests that the compound has specific spatial arrangements that could influence its biological activity and interactions. Overall, this compound may have applications in medicinal chemistry, particularly in the design of pharmaceuticals or as intermediates in organic synthesis.
Formula:C14H18N2O6
InChI:InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-10(8-12(17)18)9-6-4-5-7-11(9)16(20)21/h4-7,10H,8H2,1-3H3,(H,15,19)(H,17,18)/t10-/m0/s1
InChI key:InChIKey=SAVFDQXYVJSWEN-JTQLQIEISA-N
SMILES:[C@H](NC(OC(C)(C)C)=O)(CC(O)=O)C1=C(N(=O)=O)C=CC=C1
Synonyms:
  • (3S)-3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-nitrophenyl)propanoic acid
  • (3S)-3-[[(tert-Butoxy)carbonyl]amino]-3-(2-nitrophenyl)propanoic acid
  • (S)-3-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid
  • (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-nitrobenzenepropanoic acid
  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2-nitro-, (βS)-
  • Boc-(R)-3-Amino-3-(2-nitrophenyl)-propionic acid
  • Boc-(S)-3-Amino-3-(2-nitrophenyl)-propionic acid
  • benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-2-nitro-, (betaS)-
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