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Propanoic acid, 3-[[2-(acetylamino)ethyl]thio]-2-methyl-, methyl ester, (S)-
SpectraBase Compound ID 1S2imjicLYM
InChI InChI=1S/C9H17NO3S/c1-7(9(12)13-3)6-14-5-4-10-8(2)11/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m1/s1
InChIKey UWYLCACGLRHRLM-SSDOTTSWSA-N
Mol Weight 219.3 g/mol
Molecular Formula C9H17NO3S
Exact Mass 219.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FuqLkFXQoD
Name Propanoic acid, 3-[[2-(acetylamino)ethyl]thio]-2-methyl-, methyl ester, (S)-
CAS Registry Number 78525-56-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NO3S
InChI InChI=1S/C9H17NO3S/c1-7(9(12)13-3)6-14-5-4-10-8(2)11/h7H,4-6H2,1-3H3,(H,10,11)/t7-/m1/s1
InChIKey UWYLCACGLRHRLM-SSDOTTSWSA-N
Molecular Weight 219.299 g/mol
SMILES N(C(=O)C)CCSC[C@](C(=O)OC)(C)[H]
SPLASH splash10-0w90-9600000000-5cf47dededb329f12622
Source of Spectrum KO-8-102-3
Synonyms Methyl (2S)-3-{[2-(acetylamino)ethyl]sulfanyl}-2-methylpropanoate N-acetyl methyl ester derivative of ethionine N-acetyl-methyl ester derivative of S-(2-carboxypropyl)-cysteamine N-acetyl-methyl ester derivative of s1 (isomer of N-acetyl-methyl ester derivative of ethionine)
Wiley ID 1218633