(3R)-4-[(4-Carboxybutanoyl)Oxy]-N-[(1E)-3-Oxo-1-Propen-1-Yl]-3-Sulfino-D-Valine

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Formula C13H19NO9S
IUPAC Name (2s,3r)-4-(4-carboxybutanoyloxy)-3-[(r)-hydroxysulfinyl]-3-methyl-2-[[(e)-3-oxoprop-1-enyl]amino]butanoic acid
Molecular Mass 365.356 g·mol−1
Heat of Formation -1613.8 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 398.98 Å 3
Surface Area 350.3 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
InChIKey ZLJAMSCQNNEARN-QDZHIHTESA-N
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