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CAS 270596-42-4

:

(βS)-4-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid

Description:
(βS)-4-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid, with CAS number 270596-42-4, is a synthetic organic compound characterized by its complex structure, which includes a chloro substituent, an amino group, and a carboxylic acid functional 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 1,1-dimethylethoxycarbonyl group suggests that it may be used in various chemical reactions, particularly in the synthesis of more complex molecules or as an intermediate in pharmaceutical development. The chloro group can enhance the compound's reactivity and may influence its biological activity. Additionally, the benzenebutanoic acid framework indicates potential applications in medicinal chemistry, possibly as an anti-inflammatory or therapeutic agent. Overall, this compound's unique structural features contribute to its potential utility in research and development within the fields of organic and medicinal chemistry.
Formula:C15H20ClNO4
InChI:InChI=1S/C15H20ClNO4/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=XHNLLTGZBXJRGH-LBPRGKRZSA-N
SMILES:C([C@H](NC(OC(C)(C)C)=O)CC(O)=O)C1=CC=C(Cl)C=C1
Synonyms:
  • (3S)-3-[(tert-butoxycarbonyl)amino]-4-(4-chlorophenyl)butanoic acid
  • (3S)-4-(4-Chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
  • (S)-3-((tert-Butoxycarbonyl)amino)-4-(4-chlorophenyl)butanoicacid
  • (βS)-4-Chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoic acid
  • Benzenebutanoic acid, 4-chloro-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βS)-
  • Boc-β-HoPhe(4-Cl)-OH
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