S-[2-({N-[(2S)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)Butanoyl]-β-Alanyl}Amino)Ethyl] Octanethioate

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Formula C19H37N2O8PS
IUPAC Name s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] octanethioate
Molecular Mass 484.544 g·mol−1
Heat of Formation -2008.1 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 593.38 Å 3
Surface Area 519.6 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey JIQRMRIKUIPMRV-QGZVFWFLSA-N
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