2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide (CHEBI:98725)

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CHEBI:98725 - 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide

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ChEBI ID	CHEBI:98725
ChEBI Name	2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide
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Formula	C25H39N3O8S
Net Charge	0
Average Mass	541.667
Monoisotopic Mass	541.24579
SMILES	COc1cccc(S(=O)(=O)N2C[C@@H](O)COC[C@H]3O[C@@H](CC(=O)NCCCN4CCOCC4)CC[C@@H]32)c1
InChI	InChI=1S/C25H39N3O8S/c1-33-20-4-2-5-22(14-20)37(31,32)28-16-19(29)17-35-18-24-23(28)7-6-21(36-24)15-25(30)26-8-3-9-27-10-12-34-13-11-27/h2,4-5,14,19,21,23-24,29H,3,6-13,15-18H2,1H3,(H,26,30)/t19-,21-,23+,24-/m1/s1
InChIKey	KOAYSPOFMXWQDS-HFGNEKBZSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide (CHEBI:98725) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-10104	LINCS