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N-{[6-Methyl-4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetyl}-L-valine Methyl Ester
SpectraBase Compound ID pm5wXdMXes
InChI InChI=1S/C14H21N3O4S/c1-8(2)12(13(19)21-4)15-10(18)7-17-9(3)6-11(22-5)16-14(17)20/h6,8,12H,7H2,1-5H3,(H,15,18)/t12-/m0/s1
InChIKey FGFMITODSLIMEX-LBPRGKRZSA-N
Mol Weight 327.4 g/mol
Molecular Formula C14H21N3O4S
Exact Mass 327.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ED1sz0LXEr
Name N-{[6-Methyl-4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetyl}-L-valine Methyl Ester
Alternate Name(s) (S)-methyl 3-methyl-2-(2-(6-methyl-4-(methylthio)-2-oxopyrimidin-1(2H)-yl)acetamido)butanoate (2S)-3-methyl-2-[[2-[6-methyl-4-(methylthio)-2-oxo-1-pyrimidinyl]-1-oxoethyl]amino]butanoic acid methyl ester Methyl (2S)-3-methyl-2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]butanoate Methyl (2S)-3-methyl-2-[[2-(6-methyl-4-methylsulfanyl-2-oxo-pyrimidin-1-yl)acetyl]amino]butanoate Methyl (2S)-3-methyl-2-[2-(6-methyl-4-methylsulfanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]butanoate
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Formula C14H21N3O4S
InChI InChI=1S/C14H21N3O4S/c1-8(2)12(13(19)21-4)15-10(18)7-17-9(3)6-11(22-5)16-14(17)20/h6,8,12H,7H2,1-5H3,(H,15,18)/t12-/m0/s1
InChIKey FGFMITODSLIMEX-LBPRGKRZSA-N
Molecular Weight 327.399 g/mol
SMILES N(C(CN1C(N=C(SC)C=C1C)=O)=O)[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-0a4i-0972000000-a2457f5de77f4e98033d
Source of Spectrum HC-47-1294-9
Wiley ID 1739490