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CHEBI:123039 - 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-methoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:123039
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-methoxyphenyl)methyl]acetamide
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DownloadsMolfile
FormulaC29H30FN3O6
Net Charge0
Average Mass535.572
Monoisotopic Mass535.21186
SMILESCOc1ccccc1CNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1
InChIInChI=1S/C29H30FN3O6/c1-37-24-9-5-2-6-17(24)15-31-27(35)14-19-13-21-20-12-18(10-11-25(20)39-28(21)26(16-34)38-19)32-29(36)33-23-8-4-3-7-22(23)30/h2-12,19,21,26,28,34H,13-16H2,1H3,(H,31,35)(H2,32,33,36)/t19-,21-,26-,28+/m0/s1
InChIKeyQPCDPRLGXJQWSH-LSQWXYBESA-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-methoxyphenyl)methyl]acetamide (CHEBI:123039) is a ureas (CHEBI:47857)
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