(2S)-2-{[(R)-[(1R)-1-({N-[(Benzyloxy)Carbonyl]-L-Alanyl}Amino)Ethyl](Hydroxy)Phosphoryl]Oxy}-3-Phenylpropanoic Acid

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Properties Simple | Detailed

Formula C22H27N2O8P
IUPAC Name (2s)-2-[[(1r)-1-[[(2s)-2-(benzyloxycarbonylamino)propanoyl]amino]ethyl]-hydroxy-phosphoryl]oxy-3-phenyl-propanoic acid
Molecular Mass 478.432 g·mol−1
Heat of Formation -1557.0 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 554.08 Å 3
Surface Area 447.28 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(1r)-1-[[(2s)-2-(benzyloxycarbonylamino)propanoyl]amino]ethyl]-hydroxy-phosphoryl]oxy-3-phenyl-propionic acid
  • (2s)-2-[hydroxy-[(1r)-1-[[(2s)-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]propyl]amino]ethyl]phosphoryl]oxy-3-phenylpropanoic acid
  • (2s)-2-[hydroxy-[(1r)-1-[[(2s)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethyl]phosphoryl]oxy-3-phenyl-propanoic acid
  • o-((-((n-(phenylmethoxycarbonyl)alanyl)amino)ethyl)hydroxyphosphinyl)-3-phenylacetate
  • zaa-p(o)f
  • zaf
CAS Number(s)
  • 127305-92-4
InChIKey UPJNMOBJDSFRTI-FCEWJHQRSA-N
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