N-(3-Methylbutanoyl)-L-Valyl-N-{(1R)-1-[(S)-Hydroxy{[(2S)-1-Methoxy-1-Oxo-3-Phenyl-2-Propanyl]Oxy}Phosphoryl]-3-Methylbutyl}-L-Valinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C30H50N3O8P
IUPAC Name [(1s)-1-benzyl-2-methoxy-2-oxo-ethoxy]-[(1r)-3-methyl-1-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]butyl]phosphinic acid
Molecular Mass 611.707 g·mol−1
Heat of Formation -1958.3 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 787.98 Å 3
Surface Area 586.37 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s)-1-(benzyl)-2-keto-2-methoxy-ethoxy]-[(1r)-1-[[(2s)-2-[[(2s)-2-(isovalerylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyl]phosphinic acid
  • [(1s)-2-methoxy-2-oxo-1-(phenylmethyl)ethoxy]-[(1r)-3-methyl-1-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]butyl]phosphinic acid
  • [(1s)-2-methoxy-2-oxo-1-(phenylmethyl)ethoxy]-[(1r)-3-methyl-1-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-1-oxobutyl]amino]butyl]phosphinic acid
  • [(2s)-1-methoxy-1-oxo-3-phenyl-propan-2-yl]oxy-[(1r)-3-methyl-1-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]butyl]phosphinic acid
  • [(2s)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy-[(1r)-3-methyl-1-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]butyl]phosphinic acid
  • iva-val-val-ple-oph
InChIKey ZZHDLOZXEAHENM-KMQNXVAFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N