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Methyl (2R)-N-(4-Methoxy-4-oxobutanoyl)cysteinate
SpectraBase Compound ID DiZMxcqsVo0
InChI InChI=1S/C9H15NO5S/c1-14-8(12)4-3-7(11)10-6(5-16)9(13)15-2/h6,16H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey ONKYSWBSJUGHED-LURJTMIESA-N
Mol Weight 249.28 g/mol
Molecular Formula C9H15NO5S
Exact Mass 249.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11Hho0MTHbb
Name Methyl (2R)-N-(4-Methoxy-4-oxobutanoyl)cysteinate
Alternate Name(s) Dimethyl (2S)-N-(4-Methoxy-4-oxobutanoyl)cysteinate methyl 4-{[(1R)-2-methoxy-2-oxo-1-(sulfanylmethyl)ethyl]amino}-4-oxobutanoate 4-[[(2R)-3-mercapto-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid methyl ester methyl 4-[[(2R)-1-methoxy-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutanoate methyl 4-[[(1R)-2-methoxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-4-oxo-butanoate methyl 4-[[(2R)-1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-oxidanylidene-butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C9H15NO5S
InChI InChI=1S/C9H15NO5S/c1-14-8(12)4-3-7(11)10-6(5-16)9(13)15-2/h6,16H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey ONKYSWBSJUGHED-LURJTMIESA-N
Molecular Weight 249.281 g/mol
SMILES N([C@@](CS)(C(=O)OC)[H])C(=O)CCC(=O)OC
SPLASH splash10-014j-0950000000-1a3c2878c00c02f80afa
Source of Spectrum K-2001-2029-20
Wiley ID 1579527