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CHEBI:97686 - 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:97686
ChEBI Name2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
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DownloadsMolfile
FormulaC31H37N3O5
Net Charge0
Average Mass531.653
Monoisotopic Mass531.27332
SMILESCOc1ccccc1CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(-c3ccncc3)c2)O1
InChIInChI=1S/C31H37N3O5/c1-37-29-8-3-2-6-25(29)17-33-31(36)16-27-9-10-28-30(39-27)21-38-20-26(35)19-34(28)18-22-5-4-7-24(15-22)23-11-13-32-14-12-23/h2-8,11-15,26-28,30,35H,9-10,16-21H2,1H3,(H,33,36)/t26-,27-,28-,30+/m0/s1
InChIKeyIQZRHVPMCXNVFS-VNDOHOEKSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:97686) is a phenylpyridine (CHEBI:38193)
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