Methyl (2S)-2-[Acetyl(Nitroso)Amino]-3-(1H-Indol-3-Yl)Propanoate

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Properties Simple | Detailed

Formula C14H15N3O4
IUPAC Name methyl (2s)-2-[acetyl(nitroso)amino]-3-indol-1-ium-3-yl-propanoate
Molecular Mass 289.287 g·mol−1
Heat of Formation -352.8 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 333.61 Å 3
Surface Area 288.12 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(acetyl-nitroso-amino)-3-(1h-indol-3-yl)propionic acid methyl ester
  • (2s)-2-(acetyl-nitrosoamino)-3-(1h-indol-3-yl)propanoic acid methyl ester
  • dl-n-acetyl-1-nitrosotryptophan methyl ester
  • dl-n-acetyl-n'-nitrosotryptophan methyl ester
  • methyl (2s)-2-(acetyl-nitrosoamino)-3-(1h-indol-3-yl)propanoate
  • n-acetyl-n'-nitrosotryptophan methyl ester
CAS Number(s)
  • 53659-33-9
InChIKey AGKSTJOYUCWFJZ-ZDUSSCGKSA-N
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