(2S)-5-[[(1R)-1-[(5-acetamido-2-hydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid

SpectraBase Compound ID	8VvMVRLkPFB
InChI	InChI=1S/C18H24N4O8S/c1-9(23)21-10-2-4-13(24)14(6-10)31-8-12(17(28)20-7-16(26)27)22-15(25)5-3-11(19)18(29)30/h2,4,6,11-12,24H,3,5,7-8,19H2,1H3,(H,20,28)(H,21,23)(H,22,25)(H,26,27)(H,29,30)/t11-,12-/m0/s1
InChIKey	VFNAXGMNFCUWCI-RYUDHWBXSA-N Google Search
Mol Weight	456.47 g/mol
Molecular Formula	C18H24N4O8S
Exact Mass	456.131485 g/mol

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SpectraBase Spectrum ID	5OntMTMwTO1
Name	(2S)-5-[[(1R)-1-[(5-acetamido-2-hydroxy-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid
CAS Registry Number	64889-81-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H24N4O8S
InChI	InChI=1S/C18H24N4O8S/c1-9(23)21-10-2-4-13(24)14(6-10)31-8-12(17(28)20-7-16(26)27)22-15(25)5-3-11(19)18(29)30/h2,4,6,11-12,24H,3,5,7-8,19H2,1H3,(H,20,28)(H,21,23)(H,22,25)(H,26,27)(H,29,30)/t11-,12-/m0/s1
InChIKey	VFNAXGMNFCUWCI-RYUDHWBXSA-N
Molecular Weight	456.470 g/mol
SMILES	N(C([C@](CSc1c(ccc(c1)NC(=O)C)O)(NC(CC[C@@](C(=O)O)(N)[H])=O)[H])=O)CC(=O)O
SPLASH	splash10-0006-9100000000-ccf30d7976a4e47a117f
Source of Spectrum	KO-8-250-2
Synonyms	(2S)-5-[[(1R)-1-[[(5-acetamido-2-hydroxy-phenyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-2-amino-5-keto-valeric acid (2S)-5-[[(2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid (2S)-5-[[(2R)-3-[(5-acetamido-2-hydroxyphenyl)thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid 3-(glutathion-S-yl)acetaminophen 3-gsh-acetaminophen Aa-glutathion AA-GSH Acetaminophen glutathion Glutathione-S-acetaminophen conjugate Glycine, N-(s-(5-(acetylamino)-2-hydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinyl)- N-(s-(5-(acetylamino)-2-hydroxyphenyl)-N-L-gamma-glutamyl-L-cysteinylglycine
Wiley ID	1389174