2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(pyridin-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide (CHEBI:101129)

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CHEBI:101129 - 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(pyridin-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide

Default Structure

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ChEBI ID	CHEBI:101129
ChEBI Name	2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(pyridin-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide
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Downloads	Molfile

Formula	C19H29N3O4
Net Charge	0
Average Mass	363.458
Monoisotopic Mass	363.21581
SMILES	CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1
InChI	InChI=1S/C19H29N3O4/c1-2-21-19(24)9-16-3-4-17-18(26-16)13-25-12-15(23)11-22(17)10-14-5-7-20-8-6-14/h5-8,15-18,23H,2-4,9-13H2,1H3,(H,21,24)/t15-,16-,17+,18-/m1/s1
InChIKey	MKIQWJGRPCGZSV-ZJPYXAASSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(pyridin-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide (CHEBI:101129) is a aralkylamine (CHEBI:18000)

Manual Xrefs	Databases
LSM-12498	LINCS