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Desacetyl Acetaminophen Glutathione

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For Research Use Only | Not For Clinical Use
CATAPS129762761
CAS129762-76-1
Structure
IUPAC Name(2S)-2-amino-5-[[(2R)-3-(5-amino-2-hydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular Weight414.43
Molecular FormulaC16H22N4O7S
Canonical SMILESN[C@@H](CCC(=O)N[C@@H](CSc1cc(N)ccc1O)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C16H22N4O7S/c17-8-1-3-11(21)12(5-8)28-7-10(15(25)19-6-14(23)24)20-13(22)4-2-9(18)16(26)27/h1,3,5,9-10,21H,2,4,6-7,17-18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1
Accurate Mass414.1209
FormatNeat
SubcategoryAmino acids
TypeImpurity
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