2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide (CHEBI:97812)

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CHEBI:97812 - 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide

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ChEBI ID	CHEBI:97812
ChEBI Name	2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
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Formula	C29H39N3O7S
Net Charge	0
Average Mass	573.712
Monoisotopic Mass	573.25087
SMILES	COc1ccc(S(=O)(=O)N2C[C@H](O)COC[C@@H]3O[C@H](CC(=O)N[C@@H]4CCN(Cc5ccccc5)C4)CC[C@H]32)cc1
InChI	InChI=1S/C29H39N3O7S/c1-37-24-7-10-26(11-8-24)40(35,36)32-18-23(33)19-38-20-28-27(32)12-9-25(39-28)15-29(34)30-22-13-14-31(17-22)16-21-5-3-2-4-6-21/h2-8,10-11,22-23,25,27-28,33H,9,12-20H2,1H3,(H,30,34)/t22-,23+,25+,27-,28+/m1/s1
InChIKey	IXXIZSABFJAVRH-RYRJUEDQSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide (CHEBI:97812) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-9191	LINCS