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3-Hydroxy-PrMCA

View entire compound with spectra: 1 MS (GC)

3-Hydroxy-PrMCA
SpectraBase Compound ID 7aaRjjhaBNn
InChI InChI=1S/C8H15NO4S/c1-6(11)9-7(8(12)13)5-14-4-2-3-10/h7,10H,2-5H2,1H3,(H,9,11)(H,12,13)/t7-/m1/s1
InChIKey FMWPQZPFBAHHMB-SSDOTTSWSA-N
Mol Weight 221.27 g/mol
Molecular Formula C8H15NO4S
Exact Mass 221.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NGoSevjTXC
Name 3-Hydroxy-PrMCA
Alternate Name(s) S-(3'-Hydroxypropyl)-N-acetylcysteine (2S)-2-acetamido-3-(3-hydroxypropylthio)propanoic acid (2S)-2-acetamido-3-(3-hydroxypropylsulfanyl)propanoic acid (2S)-2-acetamido-3-(3-oxidanylpropylsulfanyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO4S
InChI InChI=1S/C8H15NO4S/c1-6(11)9-7(8(12)13)5-14-4-2-3-10/h7,10H,2-5H2,1H3,(H,9,11)(H,12,13)/t7-/m1/s1
InChIKey FMWPQZPFBAHHMB-SSDOTTSWSA-N
Molecular Weight 221.271 g/mol
SMILES OC([C@@](CSCCCO)(NC(=O)C)[H])=O
SPLASH splash10-01p5-9200000000-b872a2fe170b84fc16d7
Source of Spectrum CRT-8-517-fig.2/cpd.6
Wiley ID 1709496