(2S)-2-[Acetyl(Nitroso)Amino]-3-(1H-Indol-3-Yl)Propanoic Acid

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Formula C13H13N3O4
IUPAC Name (2s)-2-[acetyl(nitroso)amino]-3-indol-1-ium-3-yl-propanoic acid
Molecular Mass 275.260 g·mol−1
Heat of Formation -373.1 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 313.72 Å 3
Surface Area 268.07 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(acetyl-nitroso-amino)-3-(1h-indol-3-yl)propanoic acid
  • (2s)-2-(acetyl-nitroso-amino)-3-(1h-indol-3-yl)propionic acid
  • (2s)-2-(acetyl-nitrosoamino)-3-(1h-indol-3-yl)propanoic acid
  • (2s)-2-(ethanoyl-nitroso-amino)-3-(1h-indol-3-yl)propanoic acid
  • dl-n-acetyl-1-nitrosotryptophan
  • dl-n-acetyl-n'-nitrosotryptophan
  • n-acetyl-n'-nitrosotryptophan
  • tryptophan, n-acetyl-1-nitroso-, dl-
CAS Number(s)
  • 53602-74-7
InChIKey QGCFCYSWAISKFH-LBPRGKRZSA-N
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