N~3~-[(2R)-4-({[(2-Amino-3-Oxo-2-Propen-1-Yl)Oxy](Hydroxy)Phosphoryl}Oxy)-2-Hydroxy-3,3-Dimethylbutanoyl]-N-(2-Sulfanylethyl)-β-Alaninamide

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Properties Simple | Detailed

Formula C14H26N3O8PS
IUPAC Name (2-amino-3-oxo-allyl) [(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
Molecular Mass 427.410 g·mol−1
Heat of Formation -1677.3 ± 16.7 kJ·mol−1
Dipole Moment 9.85 ± 1.08 D
Volume 494.08 Å 3
Surface Area 429.9 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey ZGRYNLLRYMHWCW-LBPRGKRZSA-N
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Elements C H O N P S