3,5-Bis(Trifluoromethyl)Benzyl N-Acetyl-L-Tryptophanate

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Properties Simple | Detailed

Formula C22H18F6N2O3
IUPAC Name [3,5-bis(trifluoromethyl)phenyl]methyl (2s)-2-acetamido-3-indol-1-ium-3-yl-propanoate
Molecular Mass 472.380 g·mol−1
Heat of Formation -1671.6 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 506.76 Å 3
Surface Area 388.4 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-3-(1h-indol-3-yl)propanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester
  • (2s)-2-acetamido-3-(1h-indol-3-yl)propionic acid [3,5-bis(trifluoromethyl)benzyl] ester
  • 3,5-bis(tfm)bz nactrp
  • 3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan
  • [3,5-bis(trifluoromethyl)phenyl]methyl (2s)-2-acetamido-3-(1h-indol-3-yl)propanoate
  • l-732,138
  • n-acetyl-l-trp-3,5-bistrifluoromethylbenzyl ester
  • n-acetyl-l-tryptophan-3,5-bistrifluoromethylbenzyl ester
  • tocris-0868
CAS Number(s)
  • 148451-96-1
InChIKey BYYQYXVAWXAYQC-IBGZPJMESA-N
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