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CAS 254750-02-2

:

(3S)-3-[(N-{[(2-tert-butylphenyl)amino](oxo)acetyl}-L-alanyl)amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

Description:
The chemical substance with the name "(3S)-3-[(N-{[(2-tert-butylphenyl)amino](oxo)acetyl}-L-alanyl)amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid" and CAS number "254750-02-2" is a complex organic compound characterized by its multi-functional structure. It features a pentanoic acid backbone with a 4-oxo group, indicating the presence of a ketone functional group. The molecule contains an amino acid derivative, specifically L-alanine, which contributes to its biological activity. The presence of a tert-butylphenyl group suggests hydrophobic characteristics, while the tetrafluorophenoxy moiety introduces significant electronegativity and potential for strong interactions with biological targets. This compound may exhibit properties such as solubility in organic solvents, potential bioactivity, and specific reactivity due to its functional groups. Its intricate structure suggests potential applications in pharmaceuticals or biochemistry, particularly in the development of therapeutic agents. However, detailed studies would be necessary to fully understand its properties, mechanisms of action, and potential uses in various fields.
Formula:C26H27F4NO7
InChI:InChI=1/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1
InChI key:InChIKey=SCVHJVCATBPIHN-SJCJKPOMSA-N
SMILES:N(C(C(N[C@H](C(N[C@H](C(COC1=C(F)C(F)=CC(F)=C1F)=O)CC(O)=O)=O)C)=O)=O)C2=C(C(C)(C)C)C=CC=C2
Synonyms:
  • <span class="text-smallcaps">L</span>-Alaninamide, N-[2-(1,1-dimethylethyl)phenyl]-2-oxoglycyl-N-[(1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]-
  • Emricasan
  • Idn 6556
  • N-[2-(1,1-Dimethylethyl)phenyl]-2-oxoglycyl-N-[(1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]-<span class="text-smallcaps">L</span>-alaninamide
  • Pf 03491390
  • pentanoic acid, 3-[[(2S)-2-[[2-[[2-(1,1-dimethylethyl)phenyl]amino]-1,2-dioxoethyl]amino]-1-oxopropyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)-, (3S)-
  • N-[2-(1,1-Dimethylethyl)phenyl]-2-oxoglycyl-N-[(1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]-L-alaninamide
  • L-Alaninamide, N-[2-(1,1-dimethylethyl)phenyl]-2-oxoglycyl-N-[(1S)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]-
  • Emricasan, (IDN-6556
  • (3S)-3-[(N-{[(2-tert-butylphenyl)amino](oxo)acetyl}-L-alanyl)amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
  • See more synonyms
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