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(2R)-3-(5-acetamido-2-hydroxy-phenyl)sulfanyl-2-amino-propanoic acid
SpectraBase Compound ID Dg4WV29C6T8
InChI InChI=1S/C11H14N2O4S/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17)/t8-/m0/s1
InChIKey LLHICPSCVFRWDT-QMMMGPOBSA-N
Mol Weight 270.3 g/mol
Molecular Formula C11H14N2O4S
Exact Mass 270.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6V1mIYgdQW
Name (2R)-3-(5-acetamido-2-hydroxy-phenyl)sulfanyl-2-amino-propanoic acid
Alternate Name(s) (2R)-3-(5-acetamido-2-hydroxy-phenyl)sulfanyl-2-azaniumyl-propanoate (2R)-3-(5-acetamido-2-oxidanyl-phenyl)sulfanyl-2-azaniumyl-propanoate (2R)-3-(5-acetamido-2-oxidanyl-phenyl)sulfanyl-2-azanyl-propanoic acid (2R)-3-[(5-acetamido-2-hydroxy-phenyl)thio]-2-amino-propionic acid (2R)-3-[(5-acetamido-2-hydroxy-phenyl)thio]-2-ammonio-propionate (2R)-3-[(5-acetamido-2-hydroxyphenyl)thio]-2-aminopropanoic acid (2R)-3-[(5-acetamido-2-hydroxyphenyl)thio]-2-ammoniopropanoate 3-(cystein-S-yl)acetaminophen 3-(cystein-S-yl)paracetamol
CAS Registry Number 53446-10-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O4S
InChI InChI=1S/C11H14N2O4S/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17)/t8-/m0/s1
InChIKey LLHICPSCVFRWDT-QMMMGPOBSA-N
Molecular Weight 270.303 g/mol
SMILES N(C(=O)C)c1cc(SC[C@@](C(=O)O)(N)[H])c(cc1)O
SPLASH splash10-0006-6900000000-ebceb477877612c363cc
Source of Spectrum KO-8-249-1
Wiley ID 1273679