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CHEBI:231310 - (S)-N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

ChEBI IDCHEBI:231310
ChEBI Name(S)-N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26F2N4O2
Net Charge0
Average Mass392.450
Monoisotopic Mass392.20238
SMILESCC(C)[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nn1CCCCCF)C(N)=O
InChIInChI=1S/C20H26F2N4O2/c1-13(2)18(19(23)27)24-20(28)17-12-16(14-6-8-15(22)9-7-14)25-26(17)11-5-3-4-10-21/h6-9,12-13,18H,3-5,10-11H2,1-2H3,(H2,23,27)(H,24,28)/t18-/m0/s1
InChIKeyJPKXVUNTSWGYKJ-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
(S)-N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CHEBI:231310) is a pyrazoles (CHEBI:26410)
(S)-N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CHEBI:231310) is a ring assembly (CHEBI:36820)
IUPAC Name 
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-(5-luoropentyl)-5-(4-luorophenyl)pyrazole-3-carboxamide
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