1-[(2R)-1-Hydroxy-4-{6-[(5-Phenylpentanoyl)Amino]-1H-Indol-1-Yl}-2-Butanyl]-1H-Imidazole-4-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C27H31N5O3
IUPAC Name 1-[(1r)-1-(hydroxymethyl)-3-[6-(5-phenylpentanoylamino)-2h-indol-1-ium-2-ylium-1-yl]propyl]imidazole-4-carboxamide
Molecular Mass 473.567 g·mol−1
Heat of Formation -225.6 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 584.02 Å 3
Surface Area 518.23 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(1r)-1-(hydroxymethyl)-3-[6-(5-phenylpentanoylamino)indol-1-yl]propyl]imidazole-4-carboxamide
  • 1-[(1r)-1-(hydroxymethyl)-3-[6-[(1-oxo-5-phenylpentyl)amino]-1-indolyl]propyl]-4-imidazolecarboxamide
  • 1-[(1r)-1-methylol-3-[6-(5-phenylpentanoylamino)indol-1-yl]propyl]imidazole-4-carboxamide
  • 1-[(2r)-1-hydroxy-4-[6-(5-phenylpentanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide
InChIKey SLLHIZOLSGWMLR-HSZRJFAPSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N