Methyl 7-{[2-({N-[(2S)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)Butanoyl]-β-Alanyl}Amino)Ethyl]Sulfanyl}-7-Oxoheptanoate

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Formula C19H35N2O10PS
IUPAC Name methyl 7-[2-[3-[[(2s)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethylsulfanyl]-7-oxo-heptanoate
Molecular Mass 514.527 g·mol−1
Heat of Formation -2312.4 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 605.29 Å 3
Surface Area 539.96 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey HCFLUHFHCAMJNF-QGZVFWFLSA-N
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