Methyl N-{(2S,3R)-3-Amino-2-Hydroxy-3-[4-(Trifluoromethyl)Phenyl]Propanoyl}-L-Alanylglycinate

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Properties Simple | Detailed

Formula C16H20F3N3O5
IUPAC Name methyl 2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]propanoyl]amino]acetate
Molecular Mass 391.342 g·mol−1
Heat of Formation -1503.4 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 436.22 Å 3
Surface Area 391.36 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-1-oxo-3-[4-(trifluoromethyl)phenyl]propyl]amino]-1-oxopropyl]amino]acetic acid methyl ester
  • 2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]propanoyl]amino]acetic acid methyl ester
  • methyl 2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]propanoyl]amino]acetate
  • methyl 2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]propanoyl]amino]ethanoate
  • methyl n-{(2s,3r)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl}alanylglycinate
  • u11
  • {2-[3-amino-2-hydroxy-3-(4-trifluoromethyl-phenyl)-propionylamino]-propionylamino}-acetic acid methyl ester
InChIKey KTNRONBAQGRLNO-CKLFPEKLSA-N
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