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N-{[4-(Methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetyl}-L-valine Methyl Ester
SpectraBase Compound ID isbcaNtoNE
InChI InChI=1S/C13H19N3O4S/c1-8(2)11(12(18)20-3)14-9(17)7-16-6-5-10(21-4)15-13(16)19/h5-6,8,11H,7H2,1-4H3,(H,14,17)/t11-/m0/s1
InChIKey YNVKVURLFDTGIR-NSHDSACASA-N
Mol Weight 313.37 g/mol
Molecular Formula C13H19N3O4S
Exact Mass 313.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAme8PVpvY2
Name N-{[4-(Methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetyl}-L-valine Methyl Ester
Alternate Name(s) (S)-methyl 3-methyl-2-(2-(4-(methylthio)-2-oxopyrimidin-1(2H)-yl)acetamido)butanoate (2S)-3-methyl-2-[[2-[4-(methylthio)-2-oxo-1-pyrimidinyl]-1-oxoethyl]amino]butanoic acid methyl ester Methyl (2S)-3-methyl-2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]butanoate Methyl (2S)-3-methyl-2-[[2-(4-methylsulfanyl-2-oxo-pyrimidin-1-yl)acetyl]amino]butanoate Methyl (2S)-3-methyl-2-[2-(4-methylsulfanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]butanoate
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Formula C13H19N3O4S
InChI InChI=1S/C13H19N3O4S/c1-8(2)11(12(18)20-3)14-9(17)7-16-6-5-10(21-4)15-13(16)19/h5-6,8,11H,7H2,1-4H3,(H,14,17)/t11-/m0/s1
InChIKey YNVKVURLFDTGIR-NSHDSACASA-N
Molecular Weight 313.372 g/mol
SMILES N(C(CN1C(N=C(C=C1)SC)=O)=O)[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-0gvo-0981000000-d871960bb0e02edfe416
Source of Spectrum HC-47-1293-5
Wiley ID 1739494