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CHEBI:122886 - 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide

ChEBI IDCHEBI:122886
ChEBI Name2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
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DownloadsMolfile
FormulaC28H27F3N4O5
Net Charge0
Average Mass556.541
Monoisotopic Mass556.19335
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccccn1
InChIInChI=1S/C28H27F3N4O5/c29-28(30,31)16-4-6-17(7-5-16)34-27(38)35-18-8-9-23-21(11-18)22-12-20(39-24(15-36)26(22)40-23)13-25(37)33-14-19-3-1-2-10-32-19/h1-11,20,22,24,26,36H,12-15H2,(H,33,37)(H2,34,35,38)/t20-,22-,24+,26+/m1/s1
InChIKeyNNNMMCMDOXLHLD-GUAAGHCTSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide (CHEBI:122886) is a ureas (CHEBI:47857)
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