CHEBI:100187 - 2-[(3R,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

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ChEBI Name 2-[(3R,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 ID CHEBI:100187
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28F2N2O5
Net Charge 0
Average Mass 426.455
Monoisotopic Mass 426.19663
InChI InChI=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-/m1/s1
InChIKey LJZGTTWSAOWWCB-AKHDSKFASA-N
SMILES CCC(=O)N1C[C@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O
ChEBI Ontology
Outgoing 2-[(3R,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:100187) is a organofluorine compound (CHEBI:37143)
Manual Xref Database
LSM-11564 LINCS
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