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CHEBI:122858 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

ChEBI IDCHEBI:122858
ChEBI Name2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
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DownloadsMolfile
FormulaC29H30FN3O6
Net Charge0
Average Mass535.572
Monoisotopic Mass535.21186
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)NCc4ccccc4F)O[C@H](CO)[C@H]2O3)cc1
InChIInChI=1S/C29H30FN3O6/c1-37-20-9-6-18(7-10-20)32-29(36)33-19-8-11-25-22(12-19)23-13-21(38-26(16-34)28(23)39-25)14-27(35)31-15-17-4-2-3-5-24(17)30/h2-12,21,23,26,28,34H,13-16H2,1H3,(H,31,35)(H2,32,33,36)/t21-,23-,26-,28+/m1/s1
InChIKeyCTJBWDZBZUSCES-AUPUHMMDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:122858) is a ureas (CHEBI:47857)
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