3-{[2-({N-[(2R)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)Butanoyl]-β-Alanyl}Amino)Ethyl]Sulfanyl}-3-Oxopropanoic Acid

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Formula C14H25N2O10PS
IUPAC Name 3-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxo-propanoic acid
Molecular Mass 444.394 g·mol−1
Heat of Formation -2223.1 ± 16.7 kJ·mol−1
Dipole Moment 7.76 ± 1.08 D
Volume 498.97 Å 3
Surface Area 438.13 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey RNFWAFOKCVKQGB-GFCCVEGCSA-N
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