[(1R)-1-{[N-(2-Furoyl)-L-Leucyl]Amino}-2-(1H-Indol-3-Yl)Ethyl]Phosphonic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H26N3O6P
IUPAC Name [(1r)-1-[[(2s)-2-(3h-furan-1-ium-3-ide-2-carbonylamino)-4-methyl-pentanoyl]amino]-2-indol-1-ium-3-yl-ethyl]phosphonic acid
Molecular Mass 447.421 g·mol−1
Heat of Formation -1102.0 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 513.84 Å 3
Surface Area 434.54 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-[[(2s)-2-(furan-2-carbonylamino)-4-methyl-pentanoyl]amino]-2-(1h-indol-3-yl)ethyl]phosphonic acid
  • [(1r)-1-[[(2s)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-2-(1h-indol-3-yl)ethyl]phosphonic acid
  • [(1r)-1-[[(2s)-2-(furan-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-2-(1h-indol-3-yl)ethyl]phosphonic acid
  • [(1r)-1-[[(2s)-2-[(2-furyl-oxomethyl)amino]-4-methyl-1-oxopentyl]amino]-2-(1h-indol-3-yl)ethyl]phosphonic acid
  • flx
  • n-[(furan-2-yl)carbonyl]-(s)-leucyl-(r)-[1-amino-2(1h-indol-3-yl)ethyl]-phosphonic acid
InChIKey WHPKSASOSKNDPY-PKOBYXMFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N