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CHEBI:118746 - N-[(3-fluorophenyl)methyl]-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide

ChEBI IDCHEBI:118746
ChEBI NameN-[(3-fluorophenyl)methyl]-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
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DownloadsMolfile
FormulaC23H23F4N3O4
Net Charge0
Average Mass481.446
Monoisotopic Mass481.16247
SMILESO=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1
InChIInChI=1S/C23H23F4N3O4/c24-16-3-1-2-14(10-16)12-28-21(32)11-18-8-9-19(20(13-31)34-18)30-22(33)29-17-6-4-15(5-7-17)23(25,26)27/h1-10,18-20,31H,11-13H2,(H,28,32)(H2,29,30,33)/t18-,19-,20-/m1/s1
InChIKeyORVKPQZRJOTCIB-VAMGGRTRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3-fluorophenyl)methyl]-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide (CHEBI:118746) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-30195LINCS