(2S)-2-[3-(Aminomethyl)Phenyl]-3-{Hydroxy[(1R)-2-Methyl-1-{[(3-Phenylpropyl)Sulfonyl]Amino}Propyl]Phosphoryl}Propanoic Acid

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Formula C23H33N2O6PS
IUPAC Name (2s)-2-[3-(aminomethyl)phenyl]-3-[hydroxy-[(1r)-2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]propanoic acid
Molecular Mass 496.557 g·mol−1
Heat of Formation -1173.5 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 589.51 Å 3
Surface Area 493.18 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[3-(aminomethyl)phenyl]-3-[hydroxy-[(1r)-2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]propanoic acid
  • (2s)-2-[3-(aminomethyl)phenyl]-3-[hydroxy-[(1r)-2-methyl-1-(3-phenylpropylsulfonylamino)propyl]phosphoryl]propionic acid
InChIKey WFFOOKSVFDUPDH-FCHUYYIVSA-N
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