N-[(2S)-3-{[(1R)-1-Aminoethyl](Hydroxy)Phosphoryl}-2-(4-Biphenylylmethyl)Propanoyl]-L-Alanine

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Formula C21H27N2O5P
IUPAC Name (2s)-2-[[(2s)-2-[[[(1r)-1-aminoethyl]-hydroxy-phosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid
Molecular Mass 418.423 g·mol−1
Heat of Formation -990.8 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 511.67 Å 3
Surface Area 403.96 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[[[(1r)-1-aminoethyl]-hydroxy-phosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid
  • (2s)-2-[[(2s)-2-[[[(1r)-1-aminoethyl]-hydroxy-phosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propionic acid
  • (2s)-2-[[(2s)-2-[[[(1r)-1-aminoethyl]-hydroxyphosphoryl]methyl]-1-oxo-3-(4-phenylphenyl)propyl]amino]propanoic acid
  • (2s)-2-[[(2s)-2-[[[(1r)-1-aminoethyl]-hydroxyphosphoryl]methyl]-3-(4-phenylphenyl)propanoyl]amino]propanoic acid
  • bir
InChIKey CWJPVKSBGVPXRD-QMTMVMCOSA-N
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