[(3S)-4-[[3-[2-(3,5-Dioxohexylsulfanyl)Ethylamino]-3-Oxo-Propyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxo-Butyl] Dihydrogen Phosphate

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Formula C17H31N2O9PS
IUPAC Name [(3s)-4-[[3-[2-(3,5-dioxohexylsulfanyl)ethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] dihydrogen phosphate
Molecular Mass 470.475 g·mol−1
Heat of Formation -2091.7 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 549.87 Å 3
Surface Area 462.27 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey SGRFVRXXQNAKSR-OAHLLOKOSA-N
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