2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide (CHEBI:128594)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:128594 - 2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide

Take structure to advanced search

ChEBI ID	CHEBI:128594
ChEBI Name	2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide
Stars
Downloads	Molfile

Formula	C20H28Cl2N2O4
Net Charge	0
Average Mass	431.360
Monoisotopic Mass	430.14261
SMILES	CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1
InChI	InChI=1S/C20H28Cl2N2O4/c1-2-23-20(26)8-15-4-6-18-19(28-15)12-27-11-14(25)10-24(18)9-13-3-5-16(21)17(22)7-13/h3,5,7,14-15,18-19,25H,2,4,6,8-12H2,1H3,(H,23,26)/t14-,15+,18+,19-/m0/s1
InChIKey	YJLZEKXXFSNZLA-SFUIVIKGSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide (CHEBI:128594) is a dichlorobenzene (CHEBI:23697)

Manual Xrefs	Databases
LSM-40148	LINCS