2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-piperidin-1-ylpropanoyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:97427)

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CHEBI:97427 - 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-piperidin-1-ylpropanoyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyridin-4-ylmethyl)acetamide

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ChEBI ID	CHEBI:97427
ChEBI Name	2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-piperidin-1-ylpropanoyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyridin-4-ylmethyl)acetamide
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Formula	C25H38N4O5
Net Charge	0
Average Mass	474.602
Monoisotopic Mass	474.28422
SMILES	O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)CCN2CCCCC2)O1)NCc1ccncc1
InChI	InChI=1S/C25H38N4O5/c30-20-16-29(25(32)8-13-28-11-2-1-3-12-28)22-5-4-21(34-23(22)18-33-17-20)14-24(31)27-15-19-6-9-26-10-7-19/h6-7,9-10,20-23,30H,1-5,8,11-18H2,(H,27,31)/t20-,21-,22+,23-/m0/s1
InChIKey	VASBZAZXGIOICB-GPJHCHHRSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-piperidin-1-ylpropanoyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:97427) has functional parent β-amino acid (CHEBI:33706)
	2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-piperidin-1-ylpropanoyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:97427) is a organonitrogen compound (CHEBI:35352)
	2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-piperidin-1-ylpropanoyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:97427) is a organooxygen compound (CHEBI:36963)

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LSM-8806	LINCS