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Ethyl 2-[3'-(3''-methyl-1"-hydroxycarbonylbutyl)thioureido)pyridine-3-carboxylate
SpectraBase Compound ID J6dRkREw6R7
InChI InChI=1S/C15H21N3O4S/c1-4-22-14(21)10-6-5-7-16-12(10)18-15(23)17-11(13(19)20)8-9(2)3/h5-7,9,11H,4,8H2,1-3H3,(H,19,20)(H2,16,17,18,23)
InChIKey WHTOSARYAPQTIK-UHFFFAOYSA-N
Mol Weight 339.41 g/mol
Molecular Formula C15H21N3O4S
Exact Mass 339.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbUbnQ50uNM
Name Ethyl 2-[3'-(3''-methyl-1"-hydroxycarbonylbutyl)thioureido)pyridine-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C15H21N3O4S
InChI InChI=1S/C15H21N3O4S/c1-4-22-14(21)10-6-5-7-16-12(10)18-15(23)17-11(13(19)20)8-9(2)3/h5-7,9,11H,4,8H2,1-3H3,(H,19,20)(H2,16,17,18,23)
InChIKey WHTOSARYAPQTIK-UHFFFAOYSA-N
Molecular Weight 339.410 g/mol
SMILES N(c1c(C(=O)OCC)cccn1)C(NC(C(=O)O)CC(C)C)=S
SPLASH splash10-001r-0096000000-194867a9f58305e13f5a
Source of Spectrum Y-32-71-7
Synonyms Ethyl 2-[3'-(3''-methyl-1''-hydroxycarbonylbutyl)thioureido)pyridine-3-carboxylate N-({[3-(ethoxycarbonyl)-2-pyridinyl]amino}carbothioyl)leucine
Wiley ID 1334349