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CHEBI:110393 - 2-[(1R,3R,4aS,9aR)-6-[[(4-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:110393
ChEBI Name2-[(1R,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
Stars
DownloadsMolfile
FormulaC23H23F4N3O5
Net Charge0
Average Mass497.445
Monoisotopic Mass497.15738
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCC(F)(F)F
InChIInChI=1S/C23H23F4N3O5/c24-12-1-3-13(4-2-12)29-22(33)30-14-5-6-18-16(7-14)17-8-15(34-19(10-31)21(17)35-18)9-20(32)28-11-23(25,26)27/h1-7,15,17,19,21,31H,8-11H2,(H,28,32)(H2,29,30,33)/t15-,17+,19-,21-/m1/s1
InChIKeySJYXGOSVXNMHEN-UKHYVGRKSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aS,9aR)-6-[[(4-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:110393) is a ureas (CHEBI:47857)
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