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CHEBI:127509 - 2-[(1S,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide

ChEBI IDCHEBI:127509
ChEBI Name2-[(1S,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC28H26F3N3O5
Net Charge0
Average Mass541.526
Monoisotopic Mass541.18246
SMILESO=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NCc1cc(F)ccc1F
InChIInChI=1S/C28H26F3N3O5/c29-16-5-7-21(30)15(9-16)13-32-26(36)12-18-11-20-19-10-17(6-8-24(19)39-27(20)25(14-35)38-18)33-28(37)34-23-4-2-1-3-22(23)31/h1-10,18,20,25,27,35H,11-14H2,(H,32,36)(H2,33,34,37)/t18-,20-,25-,27+/m0/s1
InChIKeyRACQFZFWZFTGGO-ZLCUHAMRSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide (CHEBI:127509) is a ureas (CHEBI:47857)
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