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CHEBI:99551 - 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide

Default Structure
ChEBI IDCHEBI:99551
ChEBI Name2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC21H28F2N2O5
Net Charge0
Average Mass426.460
Monoisotopic Mass426.19663
SMILESCCC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21
InChIInChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17+,18-,19+/m0/s1
InChIKeyLJZGTTWSAOWWCB-ZSYWTGECSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide (CHEBI:99551) is a organofluorine compound (CHEBI:37143)
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