1-[(2R)-1-Hydroxy-4-{6-[(3-Phenylpropanoyl)Amino]-1H-Indol-1-Yl}-2-Butanyl]-1H-Imidazole-4-Carboxamide

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Properties Simple | Detailed

Formula C25H27N5O3
IUPAC Name 1-[(1r)-1-(hydroxymethyl)-3-[6-(3-phenylpropanoylamino)indol-1-yl]propyl]imidazole-4-carboxamide
Molecular Mass 445.514 g·mol−1
Heat of Formation -189.1 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 538.28 Å 3
Surface Area 473.9 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(1r)-1-(hydroxymethyl)-3-[6-(3-phenylpropanoylamino)indol-1-yl]propyl]imidazole-4-carboxamide
  • 1-[(1r)-1-(hydroxymethyl)-3-[6-[(1-oxo-3-phenylpropyl)amino]-1-indolyl]propyl]-4-imidazolecarboxamide
  • 1-[(1r)-1-methylol-3-[6-(3-phenylpropanoylamino)indol-1-yl]propyl]imidazole-4-carboxamide
  • 1-[(2r)-1-hydroxy-4-[6-(3-phenylpropanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide
InChIKey GUYYFMCFEPDDFL-OAQYLSRUSA-N
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