S-[2-({N-[(2R)-2-Hydroxy-4-{[Hydroxy(Oxido)Phosphoranyl]Oxy}-3,3-Dimethylbutanoyl]-β-Alanyl}Amino)Ethyl] Hexanethioate

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Formula C17H33N2O7PS
IUPAC Name [(3r)-4-[[3-(2-hexanoylsulfanylethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]phosphinic acid
Molecular Mass 440.492 g·mol−1
Heat of Formation -1710.5 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 535.86 Å 3
Surface Area 464.0 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey RXYQLYCKZTXHTF-HNNXBMFYSA-N
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