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N-{[4-(Methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetyl}-L-leucine Methyl Ester
SpectraBase Compound ID 8OhJ9idx41T
InChI InChI=1S/C14H21N3O4S/c1-9(2)7-10(13(19)21-3)15-11(18)8-17-6-5-12(22-4)16-14(17)20/h5-6,9-10H,7-8H2,1-4H3,(H,15,18)/t10-/m0/s1
InChIKey TZMJOKGKTNOQQQ-JTQLQIEISA-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 GM3zJZPo3aO
Name N-{[4-(Methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetyl}-L-leucine Methyl Ester
Alternate Name(s) (S)-methyl 4-methyl-2-(2-(4-(methylthio)-2-oxopyrimidin-1(2H)-yl)acetamido)pentanoate (2S)-4-methyl-2-[[2-[4-(methylthio)-2-oxo-1-pyrimidinyl]-1-oxoethyl]amino]pentanoic acid methyl ester Methyl (2S)-4-methyl-2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]pentanoate Methyl (2S)-4-methyl-2-[[2-(4-methylsulfanyl-2-oxo-pyrimidin-1-yl)acetyl]amino]pentanoate Methyl (2S)-4-methyl-2-[2-(4-methylsulfanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]pentanoate
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Formula C14H21N3O4S
InChI InChI=1S/C14H21N3O4S/c1-9(2)7-10(13(19)21-3)15-11(18)8-17-6-5-12(22-4)16-14(17)20/h5-6,9-10H,7-8H2,1-4H3,(H,15,18)/t10-/m0/s1
InChIKey TZMJOKGKTNOQQQ-JTQLQIEISA-N
Molecular Weight 327.399 g/mol
SMILES N(C(CN1C(N=C(C=C1)SC)=O)=O)[C@](C(=O)OC)(CC(C)C)[H]
SPLASH splash10-0006-0981000000-e7aa296320fc12fa6961
Source of Spectrum HC-47-1294-6
Wiley ID 1739493