Nalpha-[(1R)-2-(4-Hydroxyphenyl)-1-Phosphonoethyl]-N-[(2S)-3-Methyl-2-(Methylamino)Butanoyl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C23H32N3O6P
IUPAC Name [(1r)-1-[[(1s)-1-benzyl-2-[[(2s)-3-methyl-2-(methylamino)butanoyl]amino]-2-oxo-ethyl]amino]-2-(4-hydroxyphenyl)ethyl]phosphonic acid
Molecular Mass 477.490 g·mol−1
Heat of Formation -1271.8 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 581.27 Å 3
Surface Area 411.69 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-[[(1s)-1-(benzyl)-2-keto-2-[[(2s)-3-methyl-2-methylamino-butanoyl]amino]ethyl]amino]-2-(4-hydroxyphenyl)ethyl]phosphonic acid
  • [(1r)-2-(4-hydroxyphenyl)-1-[[(1s)-2-[[(2s)-3-methyl-2-methylamino-1-oxobutyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]ethyl]phosphonic acid
  • [(1r)-2-(4-hydroxyphenyl)-1-[[(1s)-2-[[(2s)-3-methyl-2-methylamino-butanoyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]ethyl]phosphonic acid
  • [(1r)-2-(4-hydroxyphenyl)-1-[[(2s)-1-[[(2s)-3-methyl-2-methylamino-butanoyl]amino]-1-oxo-3-phenyl-propan-2-yl]amino]ethyl]phosphonic acid
  • [(1r)-2-(4-hydroxyphenyl)-1-[[(2s)-1-[[(2s)-3-methyl-2-methylaminobutanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]ethyl]phosphonic acid
  • i5-b1
  • k 4
  • k-4
CAS Number(s)
  • 84890-90-4
InChIKey ATQVBSVAXDRWFW-HBMCJLEFSA-N
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