3-{[2-({N-[(2R)-2,4-Dihydroxy-3,3-Dimethylbutanoyl]-β-Alanyl}Amino)Ethyl]Sulfanyl}-2-Oxopropanoic Acid

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Formula C14H24N2O7S
IUPAC Name 3-[2-[3-[[(2s)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxo-propanoic acid
Molecular Mass 364.415 g·mol−1
Heat of Formation -1381.5 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 424.07 Å 3
Surface Area 322.54 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey DEOWJOKPBNHRSS-LLVKDONJSA-N
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