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CHEBI:116106 - 2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester

ChEBI IDCHEBI:116106
ChEBI Name2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester
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FormulaC20H22N4O4S
Net Charge0
Average Mass414.487
Monoisotopic Mass414.13618
SMILESCOC(=O)C(CC(C)C)NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)n1
InChIInChI=1S/C20H22N4O4S/c1-12(2)9-15(19(27)28-3)22-16(25)11-29-20-23-17(13-7-5-4-6-8-13)14(10-21)18(26)24-20/h4-8,12,15H,9,11H2,1-3H3,(H,22,25)(H,23,24,26)
InChIKeyAKPKVAZBSUXKSJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester (CHEBI:116106) is a leucine derivative (CHEBI:47003)
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LSM-27562LINCS