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

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Formula C21H25N2O8P
IUPAC Name (2s)-2-[[[(2s)-2-(benzyloxycarbonylamino)propanoyl]amino]methyl-hydroxy-phosphoryl]oxy-3-phenyl-propanoic acid
Molecular Mass 464.406 g·mol−1
Heat of Formation -1526.7 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 532.19 Å 3
Surface Area 466.37 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[[(2s)-2-(benzyloxycarbonylamino)propanoyl]amino]methyl-hydroxy-phosphoryl]oxy-3-phenyl-propionic acid
  • (2s)-2-[hydroxy-[[[(2s)-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]propyl]amino]methyl]phosphoryl]oxy-3-phenylpropanoic acid
  • (2s)-2-[hydroxy-[[[(2s)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]phosphoryl]oxy-3-phenyl-propanoic acid
  • (2s)-2-[hydroxy-[[[(2s)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]phosphoryl]oxy-3-phenylpropanoic acid
InChIKey ICACWKLCNCPHAM-YJBOKZPZSA-N
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