N-(Trifluoroacetyl)-L-Phenylalanyl-L-Alanine

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Properties Simple | Detailed

Formula C14H15F3N2O4
IUPAC Name (2s)-2-[[(2s)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoic acid
Molecular Mass 332.275 g·mol−1
Heat of Formation -1313.2 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 371.29 Å 3
Surface Area 324.86 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-1-oxo-3-phenyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]amino]propanoic acid
  • (2s)-2-[[(2s)-3-phenyl-2-(2,2,2-trifluoroethanoylamino)propanoyl]amino]propanoic acid
  • (2s)-2-[[(2s)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoic acid
  • (2s)-2-[[(2s)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propionic acid
  • n-tfa-phenylalanyl-alanine
  • tfa-phe-ala
CAS Number(s)
  • 3801-77-2
InChIKey CPHPEWFIOVFACR-WPRPVWTQSA-N
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