1-[(2R)-4-{6-[(Benzylcarbamoyl)Amino]-1H-Indol-1-Yl}-1-Hydroxy-2-Butanyl]-1H-Imidazole-4-Carboxamide

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Properties Simple | Detailed

Formula C24H26N6O3
IUPAC Name 1-[(1r)-3-[6-(benzylcarbamoylamino)-2h-indol-1-ium-2-ylium-1-yl]-1-(hydroxymethyl)propyl]imidazole-4-carboxamide
Molecular Mass 446.502 g·mol−1
Heat of Formation -160.0 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 528.29 Å 3
Surface Area 461.48 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(1r)-1-(hydroxymethyl)-3-[6-(phenylmethylcarbamoylamino)indol-1-yl]propyl]imidazole-4-carboxamide
  • 1-[(1r)-1-(hydroxymethyl)-3-[6-[[oxo-(phenylmethylamino)methyl]amino]-1-indolyl]propyl]-4-imidazolecarboxamide
  • 1-[(1r)-3-[6-(benzylcarbamoylamino)indol-1-yl]-1-methylol-propyl]imidazole-4-carboxamide
  • 1-[(2r)-1-hydroxy-4-[6-(phenylmethylcarbamoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide
InChIKey KCCUBLLGAMGDJL-HXUWFJFHSA-N
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