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CHEBI:102975 - 2-[(3S,6aS,8S,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide

ChEBI IDCHEBI:102975
ChEBI Name2-[(3S,6aS,8S,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide
Stars
DownloadsMolfile
FormulaC22H31FN2O4
Net Charge0
Average Mass406.498
Monoisotopic Mass406.22679
SMILESO=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)NC1CCC1
InChIInChI=1S/C22H31FN2O4/c23-19-7-2-1-4-15(19)11-25-12-17(26)13-28-14-21-20(25)9-8-18(29-21)10-22(27)24-16-5-3-6-16/h1-2,4,7,16-18,20-21,26H,3,5-6,8-14H2,(H,24,27)/t17-,18-,20-,21+/m0/s1
InChIKeyLTCDBOWOUBSGLM-JYAXBFRTSA-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)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide (CHEBI:102975) is a aromatic amine (CHEBI:33860)
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