(2S)-2-[3-(Aminomethyl)Phenyl]-3-[{(1R)-1-[(4-Biphenylylsulfonyl)Amino]-2-Methylpropyl}(Hydroxy)Phosphoryl]Propanoic Acid

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Formula C26H31N2O6PS
IUPAC Name (2s)-2-[3-(aminomethyl)phenyl]-3-[hydroxy-[(1r)-2-methyl-1-[(4-phenylphenyl)sulfonylamino]propyl]phosphoryl]propanoic acid
Molecular Mass 530.573 g·mol−1
Heat of Formation -1070.5 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 613.8 Å 3
Surface Area 438.6 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey KEOUUUFVAPIYKJ-LOSJGSFVSA-N
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