2-[(3S,6aR,8S,10aR)-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:101681)

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CHEBI:101681 - 2-[(3S,6aR,8S,10aR)-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 ID	CHEBI:101681
ChEBI Name	2-[(3S,6aR,8S,10aR)-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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Formula	C21H28F2N2O5
Net Charge	0
Average Mass	426.460
Monoisotopic Mass	426.19663
SMILES	CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3cc(F)cc(F)c3)CC[C@H]21
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-/m0/s1
InChIKey	LJZGTTWSAOWWCB-OKYOBFRVSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(3S,6aR,8S,10aR)-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:101681) is a organofluorine compound (CHEBI:37143)

Manual Xrefs	Databases
LSM-13044	LINCS