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CHEBI:122935 - 2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:122935
ChEBI Name2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
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DownloadsMolfile
FormulaC34H32FN3O6
Net Charge0
Average Mass597.643
Monoisotopic Mass597.22751
SMILESO=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C34H32FN3O6/c35-28-8-4-5-9-29(28)38-34(41)37-22-12-15-30-26(16-22)27-17-25(43-31(20-39)33(27)44-30)18-32(40)36-19-21-10-13-24(14-11-21)42-23-6-2-1-3-7-23/h1-16,25,27,31,33,39H,17-20H2,(H,36,40)(H2,37,38,41)/t25-,27+,31+,33-/m1/s1
InChIKeyDKMWIPSTNBBBEH-HJKILOPXSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide (CHEBI:122935) is a aromatic ether (CHEBI:35618)
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