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CHEBI:97508 - 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:97508
ChEBI Name2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
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DownloadsMolfile
FormulaC29H31N3O6
Net Charge0
Average Mass517.582
Monoisotopic Mass517.22129
SMILESCOc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@H](CO)O1
InChIInChI=1S/C29H31N3O6/c1-36-24-5-3-2-4-19(24)16-31-27(34)15-21-14-23-22-13-20(32-28(35)12-18-8-10-30-11-9-18)6-7-25(22)38-29(23)26(17-33)37-21/h2-11,13,21,23,26,29,33H,12,14-17H2,1H3,(H,31,34)(H,32,35)/t21-,23+,26-,29-/m0/s1
InChIKeyZGXOXQUBSYKGRY-OMUOKKHMSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:97508) is a furopyran (CHEBI:74927)
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