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CAS 116169-90-5

:

1-Ethyl (αS)-α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]benzenebutanoate

Description:
1-Ethyl (αS)-α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]benzenebutanoate, with CAS number 116169-90-5, is a complex organic compound characterized by its multi-functional structure. It features an ethyl group, a carboxylic acid moiety, and an amine linkage, indicating potential for both hydrophilic and lipophilic interactions. The presence of a trifluoroacetyl group suggests enhanced stability and potential for specific reactivity due to the electronegative fluorine atoms, which can influence the compound's polarity and solubility. This compound may exhibit biological activity, possibly as a pharmaceutical agent, due to its intricate structure that allows for interactions with biological targets. Its stereochemistry, indicated by the (αS) and (1S) designations, implies specific spatial arrangements that could affect its pharmacodynamics and pharmacokinetics. Overall, this compound's unique characteristics make it a subject of interest in medicinal chemistry and drug development, although detailed studies would be necessary to fully elucidate its properties and potential applications.
Formula:C20H27F3N2O5
InChI:InChI=1S/C20H27F3N2O5/c1-2-30-18(28)16(12-11-14-8-4-3-5-9-14)25-15(17(26)27)10-6-7-13-24-19(29)20(21,22)23/h3-5,8-9,15-16,25H,2,6-7,10-13H2,1H3,(H,24,29)(H,26,27)/t15-,16-/m0/s1
InChI key:InChIKey=YNLDFNVDZZGPHE-HOTGVXAUSA-N
SMILES:[C@H](N[C@@H](CCCCNC(C(F)(F)F)=O)C(O)=O)(CCC1=CC=CC=C1)C(OCC)=O
Synonyms:
  • 1-Ethyl (αS)-α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]benzenebutanoate
  • Benzenebutanoic acid, α-[[(1S)-1-carboxy-5-[(trifluoroacetyl)amino]pentyl]amino]-, monoethyl ester, (αS)-
  • Benzenebutanoic acid, α-[[1-carboxy-5-[(trifluoroacetyl)amino]pentyl]amino]-, monoethyl ester, [S-(R*,R*)]-
  • Benzenebutanoic acid, α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]-, 1-ethyl ester, (αS)-
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