N~2~-[(Benzyloxy)Carbonyl]-N-[(2S,3S,5R)-3-Hydroxy-5-(5-Isobutyryl-1H-Imidazol-2-Yl)-1,6-Diphenyl-2-Hexanyl]-L-Valinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C38H46N4O5
IUPAC Name benzyl n-[(1s)-1-[[(1s,2s,4r)-1-benzyl-2-hydroxy-4-[5-(2-methylpropanoyl)imidazol-1-ium-2-ylium-2-yl]-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]carbamate
Molecular Mass 638.796 g·mol−1
Heat of Formation -742.2 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 811.04 Å 3
Surface Area 604.07 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-{(1s,2s,4r)-2-hydroxy-4-[5-(2-methylpropanoyl)imidazol-2-yl]-5-phenyl-1-benzylpentyl}-3-methyl-2-[(phenylmethoxy)carbonylamino]butanamide
  • 2-[(1r,3s,4s)-1-benzyl-4-[n-(benzyloxycarbonyl)-l-valyl]amino-3-phenylpentyl]-4(5)-(2-methylpropionyl)imidazole
  • n-[(1s)-1-[[(1s,2s,4r)-1-(benzyl)-2-hydroxy-4-(4-isobutyryl-3h-imidazol-2-yl)-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester
  • n-[(1s)-1-[[[(1s,2s,4r)-2-hydroxy-4-[4-(2-methyl-1-oxopropyl)-3h-imidazol-2-yl]-5-phenyl-1-(phenylmethyl)pentyl]amino]-oxomethyl]-2-methylpropyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[(1s)-1-[[(1s,2s,4r)-2-hydroxy-4-[4-(2-methylpropanoyl)-3h-imidazol-2-yl]-5-phenyl-1-(phenylmethyl)pentyl]carbamoyl]-2-methyl-propyl]carbamate
  • phenylmethyl n-[(2s)-1-[[(2s,3s,5r)-3-hydroxy-5-[4-(2-methylpropanoyl)-3h-imidazol-2-yl]-1,6-di(phenyl)hexan-2-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamate
  • phenylmethyl n-[(2s)-1-[[(2s,3s,5r)-3-hydroxy-5-[4-(2-methylpropanoyl)-3h-imidazol-2-yl]-1,6-di(phenyl)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
  • run
  • sb 206343
  • sb-206343
  • sb206343
InChIKey RQAVEWKEUKIFLD-LVPKLHHISA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N