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(2S)-4-(methylthio)-2-(3-pyrrol-1-ylpropanoylamino)butyric acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2S)-4-(methylthio)-2-(3-pyrrol-1-ylpropanoylamino)butyric acid methyl ester
SpectraBase Compound ID 1TPONl3R2xi
InChI InChI=1S/C13H20N2O3S/c1-18-13(17)11(6-10-19-2)14-12(16)5-9-15-7-3-4-8-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKey XBTFSFVHNSOUNY-NSHDSACASA-N
Mol Weight 284.37 g/mol
Molecular Formula C13H20N2O3S
Exact Mass 284.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRlXpDHDbv4
Name (2S)-4-(methylthio)-2-(3-pyrrol-1-ylpropanoylamino)butyric acid methyl ester
Alternate Name(s) (2S)-4-(methylthio)-2-[[1-oxo-3-(1-pyrrolyl)propyl]amino]butanoic acid methyl ester Methyl (2S)-4-methylsulfanyl-2-(3-pyrrol-1-ylpropanoylamino)butanoate
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Formula C13H20N2O3S
InChI InChI=1S/C13H20N2O3S/c1-18-13(17)11(6-10-19-2)14-12(16)5-9-15-7-3-4-8-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKey XBTFSFVHNSOUNY-NSHDSACASA-N
Molecular Weight 284.374 g/mol
SMILES N(C(CC[n]1cccc1)=O)[C@](C(=O)OC)(CCSC)[H]
SPLASH splash10-001l-9030000000-b80ae58dcfb44eaa4ad4
Source of Spectrum KC-0-1662-7
Wiley ID 828497