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2-Acetamido-3-(acetylthio)propanoic acid, methyl ester
SpectraBase Compound ID 5JCUI7RxgLB
InChI InChI=1S/C8H13NO4S/c1-5(10)9-7(8(12)13-3)4-14-6(2)11/h7H,4H2,1-3H3,(H,9,10)
InChIKey AIDHMQPGKCFCHV-UHFFFAOYSA-N
Mol Weight 219.25 g/mol
Molecular Formula C8H13NO4S
Exact Mass 219.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRg2tZeJahP
Name 2-Acetamido-3-(acetylthio)propanoic acid, methyl ester
CAS Registry Number 19547-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO4S
InChI InChI=1S/C8H13NO4S/c1-5(10)9-7(8(12)13-3)4-14-6(2)11/h7H,4H2,1-3H3,(H,9,10)
InChIKey AIDHMQPGKCFCHV-UHFFFAOYSA-N
Molecular Weight 219.255 g/mol
SMILES N(C(CSC(C)=O)C(OC)=O)C(C)=O
SPLASH splash10-0006-9200000000-6b417cb5e9c7d1df3959
Source of Spectrum H-69-1363-11
Synonyms Methyl 2-(acetylamino)-3-(acetylsulfanyl)propanoate 2-Acetamido-3-(acetylthio)propionic acid methyl ester l-Cysteine, N,S-diacetyl-, methyl ester L-Cysteine, N-acetyl-, methyl ester, acetate 2-Acetamido-3-(acetylthio)propanoic acid methyl ester Methyl 2-acetamido-3-acetylsulfanyl-propanoate Methyl 2-acetamido-3-ethanoylsulfanyl-propanoate Methyl N,S-diacetyl-L-cysteinate N,S-diacetylcysteine methyl ester EINECS 243-146-2
Wiley ID 1218599