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

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Formula C21H41N2O7PS
IUPAC Name [(3r)-4-[[3-(2-decanoylsulfanylethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]phosphinic acid
Molecular Mass 496.598 g·mol−1
Heat of Formation -1792.3 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 621.74 Å 3
Surface Area 553.8 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
InChIKey BPRKYNVKIAROET-IBGZPJMESA-N
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