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CAS 270065-78-6

:

(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-(trifluoromethyl)benzenebutanoic acid

Description:
The chemical substance known as (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-(trifluoromethyl)benzenebutanoic acid, with CAS number 270065-78-6, is a synthetic compound that features a complex structure characterized by the presence of a fluorene moiety, a trifluoromethyl group, and a carboxylic acid functional group. This compound is typically utilized in the field of medicinal chemistry and peptide synthesis due to its protective group, which is useful for the selective modification of amino acids. The trifluoromethyl group enhances lipophilicity and can influence the compound's biological activity and pharmacokinetics. The stereochemistry indicated by (βS) suggests that the compound has specific spatial arrangements that may affect its interaction with biological targets. Overall, this compound's unique structural features make it a valuable tool in drug development and research applications, particularly in the synthesis of peptide-based therapeutics.
Formula:C26H22F3NO4
InChI:InChI=1S/C26H22F3NO4/c27-26(28,29)17-7-5-6-16(12-17)13-18(14-24(31)32)30-25(33)34-15-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-12,18,23H,13-15H2,(H,30,33)(H,31,32)/t18-/m0/s1
InChI key:InChIKey=SHSVTUCIAQWRSI-SFHVURJKSA-N
SMILES:C(OC(N[C@@H](CC1=CC(C(F)(F)F)=CC=C1)CC(O)=O)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3
Synonyms:
  • (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[3-(trifluoromethyl)phenyl]butanoic acid
  • (S)-3-(Fmoc-amino)-4-(3-trifluoromethyl-phenyl)butanoic acid
  • (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-(trifluoromethyl)benzenebutanoic acid
  • Benzenebutanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-(trifluoromethyl)-, (βS)-
  • Fmoc-β-HoPhe(3-CF3)-OH
  • N-Fmoc-(S)-3-amino-4-(3-trifluoromethylphenyl)-butyric acid
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