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CHEBI:177773 - filibuvir

ChEBI IDCHEBI:177773
ChEBI Namefilibuvir
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H37N5O3
Net Charge0
Average Mass503.647
Monoisotopic Mass503.28964
SMILESCCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1
InChIInChI=1S/C29H37N5O3/c1-5-22-14-20(15-23(6-2)31-22)11-12-29(21-9-7-8-10-21)17-25(35)24(27(36)37-29)16-26-32-28-30-18(3)13-19(4)34(28)33-26/h13-15,21,35H,5-12,16-17H2,1-4H3/t29-/m1/s1
InChIKeySLVAPEZTBDBAPI-GDLZYMKVSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
filibuvir (CHEBI:177773) is a triazolopyrimidines (CHEBI:48435)
IUPAC Name 
(2R)-2-cyclopentyl-2-[2-(2,6-diethylpyridin-4-yl)ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one
Manual XrefsDatabases
D09616KEGG DRUG
DB11878DrugBank
23333839ChemSpider
AG0PDBeChem
Registry NumbersSources
CAS:877130-28-4ChemIDplus