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CHEBI:126131 - 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(phenylmethyl)-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:126131
ChEBI Name2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(phenylmethyl)-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
FormulaC26H34N2O5
Net Charge0
Average Mass454.567
Monoisotopic Mass454.24677
SMILESCOc1ccccc1CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2)O1
InChIInChI=1S/C26H34N2O5/c1-31-24-10-6-5-9-20(24)14-27-26(30)13-22-11-12-23-25(33-22)18-32-17-21(29)16-28(23)15-19-7-3-2-4-8-19/h2-10,21-23,25,29H,11-18H2,1H3,(H,27,30)/t21-,22-,23-,25+/m0/s1
InChIKeyYCTIQKXNXCHRGU-KELBGUDLSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(phenylmethyl)-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:126131) is a aromatic amine (CHEBI:33860)
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