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CHEBI:122838 - 2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

ChEBI IDCHEBI:122838
ChEBI Name2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
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DownloadsMolfile
FormulaC23H23F4N3O5
Net Charge0
Average Mass497.445
Monoisotopic Mass497.15738
SMILESO=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1)NCC(F)(F)F
InChIInChI=1S/C23H23F4N3O5/c24-16-3-1-2-4-17(16)30-22(33)29-12-5-6-18-14(7-12)15-8-13(34-19(10-31)21(15)35-18)9-20(32)28-11-23(25,26)27/h1-7,13,15,19,21,31H,8-11H2,(H,28,32)(H2,29,30,33)/t13-,15-,19-,21+/m1/s1
InChIKeyJNBFYQYHHCPVEU-CKJDJMSUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CHEBI:122838) is a ureas (CHEBI:47857)
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