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CHEBI:98397 - 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:98397
ChEBI Name2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
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DownloadsMolfile
FormulaC30H30F3N3O6
Net Charge0
Average Mass585.579
Monoisotopic Mass585.20867
SMILESCOc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1
InChIInChI=1S/C30H30F3N3O6/c1-40-24-5-3-2-4-17(24)15-34-27(38)14-21-13-23-22-12-20(10-11-25(22)42-28(23)26(16-37)41-21)36-29(39)35-19-8-6-18(7-9-19)30(31,32)33/h2-12,21,23,26,28,37H,13-16H2,1H3,(H,34,38)(H2,35,36,39)/t21-,23+,26-,28-/m0/s1
InChIKeySYQUHMCSVCULSJ-UKEKDYKDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:98397) is a ureas (CHEBI:47857)
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