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CAS 270065-87-7

:

(βS)-3-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid

Description:
(βS)-3-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid, with CAS number 270065-87-7, is a synthetic organic compound characterized by its complex structure, which includes a cyano group, a fluorenylmethoxycarbonyl (Fmoc) protecting group, and a benzenebutanoic acid moiety. This compound is typically used in peptide synthesis and as a building block in medicinal chemistry due to its ability to protect amino groups during chemical reactions. The presence of the cyano group enhances its reactivity and potential for further functionalization. The Fmoc group is particularly valuable in solid-phase peptide synthesis, allowing for selective deprotection under mild conditions. The compound's chirality, indicated by the (βS) designation, suggests that it may exhibit specific biological activity or interactions, making it of interest in pharmaceutical research. Overall, this compound exemplifies the intricate design often required in the development of bioactive molecules.
Formula:C26H22N2O4
InChI:InChI=1S/C26H22N2O4/c27-15-18-7-5-6-17(12-18)13-19(14-25(29)30)28-26(31)32-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,19,24H,13-14,16H2,(H,28,31)(H,29,30)/t19-/m0/s1
InChI key:InChIKey=JCMKWCSZEZUIQG-IBGZPJMESA-N
SMILES:C(OC(N[C@@H](CC1=CC(C#N)=CC=C1)CC(O)=O)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3
Synonyms:
  • Fmoc-β-HoPhe(3-CN)-OH
  • Benzenebutanoic acid, 3-cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βS)-
  • (βS)-3-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid
  • (3S)-4-(3-cyanophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid
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