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N-{[5-Methyl-4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetyl}-L-valine Methyl Ester
SpectraBase Compound ID DbH2o3uSFC0
InChI InChI=1S/C14H21N3O4S/c1-8(2)11(13(19)21-4)15-10(18)7-17-6-9(3)12(22-5)16-14(17)20/h6,8,11H,7H2,1-5H3,(H,15,18)/t11-/m0/s1
InChIKey MBQGJOIHGNXURJ-NSHDSACASA-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 FqkBCSTBy7m
Name N-{[5-Methyl-4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetyl}-L-valine Methyl Ester
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Formula C14H21N3O4S
InChI InChI=1S/C14H21N3O4S/c1-8(2)11(13(19)21-4)15-10(18)7-17-6-9(3)12(22-5)16-14(17)20/h6,8,11H,7H2,1-5H3,(H,15,18)/t11-/m0/s1
InChIKey MBQGJOIHGNXURJ-NSHDSACASA-N
Molecular Weight 327.399 g/mol
SMILES N(C(CN1C(N=C(C(=C1)C)SC)=O)=O)[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-0a6r-0952000000-354388a2bbdcf0a13075
Source of Spectrum HC-47-1295-13
Synonyms (S)-methyl 3-methyl-2-(2-(5-methyl-4-(methylthio)-2-oxopyrimidin-1(2H)-yl)acetamido)butanoate (2S)-3-methyl-2-[[2-[5-methyl-4-(methylthio)-2-oxo-1-pyrimidinyl]-1-oxoethyl]amino]butanoic acid methyl ester Methyl (2S)-3-methyl-2-[[2-(5-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]butanoate Methyl (2S)-3-methyl-2-[[2-(5-methyl-4-methylsulfanyl-2-oxo-pyrimidin-1-yl)acetyl]amino]butanoate Methyl (2S)-3-methyl-2-[2-(5-methyl-4-methylsulfanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]butanoate
Wiley ID 1739486