Formula |
C13H22N2O9S2 |
IUPAC Name |
(2s)-2-amino-6-[[(1r)-2-[(1s,2s)-1-carboxy-2-hydroxy-2-methylsulfanyl-ethoxy]-1-(hydrosulfinylmethyl)-2-oxo-ethyl]amino]-6-oxo-hexanoic acid |
Molecular Mass |
414.452 g·mol−1 |
Heat of Formation |
-1616.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.34 ± 1.08 D |
Volume |
462.55 Å 3 |
Surface Area |
410.88 Å 2 |
HOMO Energy |
-8.75 ± 0.55 eV |
LUMO Energy |
2.53 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CRQOTISMRKWURZ-LOSGYTSQSA-N |
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Elements |
H
S
C
O
N
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