(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

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Properties Simple | Detailed

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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