2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:99739)

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CHEBI:99739 - 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

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ChEBI ID	CHEBI:99739
ChEBI Name	2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
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Downloads	Molfile

Formula	C26H32N2O8S
Net Charge	0
Average Mass	532.615
Monoisotopic Mass	532.18794
SMILES	Cc1ccc(S(=O)(=O)N2C[C@@H](O)COC[C@H]3O[C@@H](CC(=O)NCc4ccc5c(c4)OCO5)CC[C@@H]32)cc1
InChI	InChI=1S/C26H32N2O8S/c1-17-2-6-21(7-3-17)37(31,32)28-13-19(29)14-33-15-25-22(28)8-5-20(36-25)11-26(30)27-12-18-4-9-23-24(10-18)35-16-34-23/h2-4,6-7,9-10,19-20,22,25,29H,5,8,11-16H2,1H3,(H,27,30)/t19-,20-,22+,25-/m1/s1
InChIKey	HNAQDDNENYJUKU-ICQAOKEUSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:99739) is a sulfonamide (CHEBI:35358)

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LSM-11118	LINCS