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

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ChEBI Name 2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester ChEBI ID CHEBI:116106 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H22N4O4S Net Charge 0 Average Mass 414.480 Monoisotopic Mass 414.13618 InChI InChI=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) InChIKey AKPKVAZBSUXKSJ-UHFFFAOYSA-N SMILES CC(C)CC(C(=O)OC)NC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N ChEBI Ontology Outgoing 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) Manual Xref Database LSM-27562 LINCS View more database links