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CHEBI:111461 - 2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester

ChEBI IDCHEBI:111461
ChEBI Name2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester
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DownloadsMolfile
FormulaC20H26N4O4
Net Charge0
Average Mass386.452
Monoisotopic Mass386.19541
SMILESC=CCNC(=O)NC(=O)COC(=O)C(C#N)=Cc1cc(C)n(CC(C)C)c1C
InChIInChI=1S/C20H26N4O4/c1-6-7-22-20(27)23-18(25)12-28-19(26)17(10-21)9-16-8-14(4)24(15(16)5)11-13(2)3/h6,8-9,13H,1,7,11-12H2,2-5H3,(H2,22,23,25,27)
InChIKeyXTIBIYNETUCIAQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester (CHEBI:111461) is a N-acylurea (CHEBI:74266)
Manual XrefsDatabases
LSM-22917LINCS