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CAS 130414-30-1

:

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

Description:
1-Ethyl (αR)-α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]benzenebutanoate, with CAS number 130414-30-1, 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 bioactivity, as fluorinated compounds often exhibit unique pharmacological properties. This compound likely exhibits moderate to high solubility in organic solvents, while its polar functional groups may confer some degree of solubility in aqueous environments. The stereochemistry indicated by the (αR) and (1S) designations suggests specific spatial arrangements that could influence its biological activity and interactions with receptors or enzymes. Overall, this compound may be of interest in medicinal chemistry and drug development, particularly in the design of therapeutics targeting specific biological pathways. Further studies would be necessary to elucidate its precise 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-JKSUJKDBSA-N
SMILES:[C@@H](N[C@@H](CCCCNC(C(F)(F)F)=O)C(O)=O)(CCC1=CC=CC=C1)C(OCC)=O
Synonyms:
  • Benzenebutanoic acid, α-[[(1S)-1-carboxy-5-[(trifluoroacetyl)amino]pentyl]amino]-, monoethyl ester, (αR)-
  • Benzenebutanoic acid, α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]-, 1-ethyl ester, (αR)-
  • Benzenebutanoic acid, α-[[1-carboxy-5-[(trifluoroacetyl)amino]pentyl]amino]-, monoethyl ester, [S-(R*,S*)]-
  • 1-Ethyl (αR)-α-[[(1S)-1-carboxy-5-[(2,2,2-trifluoroacetyl)amino]pentyl]amino]benzenebutanoate
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