N-[(2S)-3-{[(1R)-1-Amino-2-Phenylethyl](Hydroxy)Phosphoryl}-2-Benzylpropanoyl]-L-Phenylalanine

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Formula C27H31N2O5P
IUPAC Name (2s)-2-[[(2s)-2-[[[(1r)-1-amino-2-phenyl-ethyl]-hydroxy-phosphoryl]methyl]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
Molecular Mass 494.519 g·mol−1
Heat of Formation -841.4 ± 16.7 kJ·mol−1
Dipole Moment 2.70 ± 1.08 D
Volume 620.51 Å 3
Surface Area 471.76 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[[[(1r)-1-amino-2-phenyl-ethyl]-hydroxy-phosphoryl]methyl]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
  • (2s)-2-[[(2s)-2-[[[(1r)-1-amino-2-phenyl-ethyl]-hydroxy-phosphoryl]methyl]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid
  • (2s)-2-[[(2s)-2-[[[(1r)-1-amino-2-phenylethyl]-hydroxyphosphoryl]methyl]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid
  • (2s)-2-[[(2s)-2-[[[(1r)-1-amino-2-phenylethyl]-hydroxyphosphoryl]methyl]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
  • pph-dph-phe
InChIKey XNPYGVCNHOXQRJ-DSNGMDLFSA-N
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