[(3S)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-[[3-Oxo-3-[2-(3-Oxobutylsulfanyl)Ethylamino]Propyl]Amino]Butyl] Dihydrogen Phosphate

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Formula C15H29N2O8PS
IUPAC Name [(3s)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutylsulfanyl)ethylamino]propyl]amino]butyl] dihydrogen phosphate
Molecular Mass 428.438 g·mol−1
Heat of Formation -1928.9 ± 16.7 kJ·mol−1
Dipole Moment 8.25 ± 1.08 D
Volume 500.01 Å 3
Surface Area 415.83 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey JWPNZQXQFVWDIM-CYBMUJFWSA-N
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