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

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Formula C17H33N2O8PS
IUPAC Name s-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] hexanethioate
Molecular Mass 456.491 g·mol−1
Heat of Formation -1961.8 ± 16.7 kJ·mol−1
Dipole Moment 7.51 ± 1.08 D
Volume 545.32 Å 3
Surface Area 484.52 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey KGMBPSVUBJAAEN-OAHLLOKOSA-N
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