2-[(3S,6aS,8R,10aS)-1-(cyclohexylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide (CHEBI:99682)

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CHEBI:99682 - 2-[(3S,6aS,8R,10aS)-1-(cyclohexylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide

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ChEBI ID	CHEBI:99682
ChEBI Name	2-[(3S,6aS,8R,10aS)-1-(cyclohexylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
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Formula	C25H37FN2O4
Net Charge	0
Average Mass	448.579
Monoisotopic Mass	448.27374
SMILES	O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCc1ccc(F)cc1
InChI	InChI=1S/C25H37FN2O4/c26-20-8-6-18(7-9-20)13-27-25(30)12-22-10-11-23-24(32-22)17-31-16-21(29)15-28(23)14-19-4-2-1-3-5-19/h6-9,19,21-24,29H,1-5,10-17H2,(H,27,30)/t21-,22+,23-,24+/m0/s1
InChIKey	CEWCLCSAKAWIOS-UARRHKHWSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(3S,6aS,8R,10aS)-1-(cyclohexylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide (CHEBI:99682) is a organofluorine compound (CHEBI:37143)

Manual Xrefs	Databases
LSM-11061	LINCS