3-([Hydroxy(dioxido)sulfanyl]sulfanyl)valine

SpectraBase Compound ID	L645N4w88yn
InChI	InChI=1S/C5H11NO5S2/c1-5(2,3(6)4(7)8)12-13(9,10)11/h3H,6H2,1-2H3,(H,7,8)(H,9,10,11)
InChIKey	FXVDYYJCEPCGJJ-UHFFFAOYSA-N Google Search
Mol Weight	229.27 g/mol
Molecular Formula	C5H11NO5S2
Exact Mass	229.007865 g/mol

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SpectraBase Spectrum ID	mTi6FXsTV3
Name	3-([Hydroxy(dioxido)sulfanyl]sulfanyl)valine
Alternate Name(s)	Valine, 3-[sulfothio]- 2-Amino-3-methyl-3-(sulfothio)butanoic acid 2-Amino-3-methyl-3-sulfosulfanylbutanoic acid 2-Amino-3-methyl-3-sulfosulfanyl-butanoic acid 2-Azanyl-3-methyl-3-sulfosulfanyl-butanoic acid
CAS Registry Number	55631-63-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C5H11NO5S2
InChI	InChI=1S/C5H11NO5S2/c1-5(2,3(6)4(7)8)12-13(9,10)11/h3H,6H2,1-2H3,(H,7,8)(H,9,10,11)
InChIKey	FXVDYYJCEPCGJJ-UHFFFAOYSA-N
Molecular Weight	229.265 g/mol
SMILES	NC(C(=O)O)C(SS(O)(=O)=O)(C)C
SPLASH	splash10-03kd-9100000000-bbbfe94abd70b68e3aa2
Source of Spectrum	NP-5-8414-0
Wiley ID	1105206