Methyl N-Acetyltryptophanate

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Properties Simple | Detailed

Formula C14H16N2O3
IUPAC Name methyl (2s)-2-acetamido-3-indol-1-ium-3-yl-propanoate
Molecular Mass 260.288 g·mol−1
Heat of Formation -422.4 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 316.08 Å 3
Surface Area 276.15 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-acetamido-3-(1h-indol-3-yl)propanoic acid methyl ester
  • (2s)-2-acetamido-3-(1h-indol-3-yl)propionic acid methyl ester
  • acetyltryptophan methyl ester
  • l-tryptophan, n-acetyl-, methyl ester
  • l-tryptophan, n-acetyl-, methyl ester (9ci)
  • methyl (2s)-2-acetamido-3-(1h-indol-3-yl)propanoate
  • methyl acetyltryptophanate
  • methyl l-n-acetyltryptophanate
  • methyl n-acetyl-l-tryptophanate
  • n-acetyltryptophan methyl ester
  • tryptophan, n-acetyl-, methyl ester, l- (6ci,7ci,8ci)
CAS Number(s)
  • 10346-36-8
  • 2824-57-9
  • 74981-23-0
InChIKey XZECNVJPYDPBAM-ZDUSSCGKSA-N
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