4-{[3-(2-Amino-2-Oxoethyl)-1-Benzyl-2-Methyl-1H-Indol-5-Yl]Oxy}Butanoic Acid

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Formula C22H24N2O4
IUPAC Name 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-1-ium-3a-id-5-yl]oxybutanoic acid
Molecular Mass 380.437 g·mol−1
Heat of Formation -570.8 ± 16.7 kJ·mol−1
Dipole Moment 7.26 ± 1.08 D
Volume 463.13 Å 3
Surface Area 397.45 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(1-benzyl-3-carbamoylmethyl-2-methyl-1h-indol-5-yloxy)-butyric acid
  • 4-[3-(2-amino-2-keto-ethyl)-1-(benzyl)-2-methyl-indol-5-yl]oxybutyric acid
  • 4-[3-(2-amino-2-oxo-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxybutanoic acid
  • 4-[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxybutanoic acid
  • 4-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid
  • 6in
InChIKey STENXUCYNKOBHJ-UHFFFAOYSA-N
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