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L-Cysteine, N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-S-2-propenyl-, methyl ester
SpectraBase Compound ID 6MkOKS9Qrwb
InChI InChI=1S/C15H20N2O4S/c1-4-5-22-9-13(15(20)21-3)17-7-12-11(8-18)6-16-10(2)14(12)19/h4,6-7,13,18-19H,1,5,8-9H2,2-3H3/b17-7+/t13-/m0/s1
InChIKey JTYCIHUOJWEUAJ-SRYMZENNSA-N
Mol Weight 324.39 g/mol
Molecular Formula C15H20N2O4S
Exact Mass 324.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DURrDMqG0dQ
Name L-Cysteine, N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylene]-S-2-propenyl-, methyl ester
CAS Registry Number 127949-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20N2O4S
InChI InChI=1S/C15H20N2O4S/c1-4-5-22-9-13(15(20)21-3)17-7-12-11(8-18)6-16-10(2)14(12)19/h4,6-7,13,18-19H,1,5,8-9H2,2-3H3/b17-7+/t13-/m0/s1
InChIKey JTYCIHUOJWEUAJ-SRYMZENNSA-N
Molecular Weight 324.395 g/mol
SMILES OCc1c(c(c(nc1)C)O)\C=N\[C@](C(=O)OC)(CSCC=C)[H]
SPLASH splash10-00dl-9200000000-46500ca427ce794b86ac
Source of Spectrum F-45-7584-8
Synonyms Methyl (2R)-3-(allylsulfanyl)-2-({(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene}amino)propanoate N-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl)methylene]-S-(2-propenyl)-L-cysteine methyl ester
Wiley ID 1322941