S-(2-{[N-(2,4-Dihydroxy-3,3-Dimethylbutanoyl)-β-Alanyl]Amino}Ethyl) 2-Butynethioate

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Formula C15H24N2O5S
IUPAC Name s-[2-[3-[[(2s)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] but-2-ynethioate
Molecular Mass 344.426 g·mol−1
Heat of Formation -816.6 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 434.27 Å 3
Surface Area 352.43 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey YKAMKQGIIXZWEY-CYBMUJFWSA-N
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