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CAS 270065-71-9

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

Description:
The chemical substance known as (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-iodobenzenebutanoic acid, with the CAS number 270065-71-9, is a synthetic organic compound characterized by its complex structure, which includes a benzenebutanoic acid backbone modified with an iodine atom and a dimethylethoxycarbonyl group. This compound features a chiral center, indicated by the (βS) designation, which implies that it exists in a specific stereoisomeric form. The presence of the iodine atom enhances its potential for reactivity and biological activity, making it of interest in medicinal chemistry and drug development. The dimethylethoxycarbonyl group serves as a protective or modifying group, influencing the compound's solubility and stability. Overall, this substance is likely to exhibit unique chemical properties, including specific interactions with biological targets, which can be explored for therapeutic applications. Its synthesis and characterization would involve standard organic chemistry techniques, including functional group transformations and stereochemical considerations.
Formula:C15H20INO4
InChI:InChI=1S/C15H20INO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChI key:InChIKey=QEKSTALXWONXOD-LBPRGKRZSA-N
SMILES:C([C@H](NC(OC(C)(C)C)=O)CC(O)=O)C1=CC=C(I)C=C1
Synonyms:
  • (3S)-3-[(tert-butoxycarbonyl)amino]-4-(4-iodophenyl)butanoic acid
  • (βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-iodobenzenebutanoic acid
  • Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodo-, (βS)-
  • Boc-L-3-Amino-4-(4-iodophenyl)-butyric acid
  • Boc-β-HoPhe(4-I)-OH
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