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

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Formula C21H27N2O5P
IUPAC Name (2s)-2-[[(2s)-2-[[[(1r)-1-aminoethyl]-hydroxy-phosphoryl]methyl]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
Molecular Mass 418.423 g·mol−1
Heat of Formation -981.6 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 517.22 Å 3
Surface Area 402.77 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[[[(1r)-1-aminoethyl]-hydroxy-phosphoryl]methyl]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
  • (2s)-2-[[(2s)-2-[[[(1r)-1-aminoethyl]-hydroxy-phosphoryl]methyl]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid
  • (2s)-2-[[(2s)-2-[[[(1r)-1-aminoethyl]-hydroxyphosphoryl]methyl]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid
  • (2s)-2-[[(2s)-2-[[[(1r)-1-aminoethyl]-hydroxyphosphoryl]methyl]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
InChIKey MMWNOZXGYRPSCJ-LZQZEXGQSA-N
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