2-[(3R,6aS,8S,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]-1-(4-phenylpiperazin-1-yl)ethanone (CHEBI:98474)

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CHEBI:98474 - 2-[(3R,6aS,8S,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]-1-(4-phenylpiperazin-1-yl)ethanone

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ChEBI ID	CHEBI:98474
ChEBI Name	2-[(3R,6aS,8S,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]-1-(4-phenylpiperazin-1-yl)ethanone
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Formula	C28H37N3O7S
Net Charge	0
Average Mass	559.685
Monoisotopic Mass	559.23522
SMILES	COc1cccc(S(=O)(=O)N2C[C@@H](O)COC[C@H]3O[C@H](CC(=O)N4CCN(c5ccccc5)CC4)CC[C@@H]32)c1
InChI	InChI=1S/C28H37N3O7S/c1-36-23-8-5-9-25(16-23)39(34,35)31-18-22(32)19-37-20-27-26(31)11-10-24(38-27)17-28(33)30-14-12-29(13-15-30)21-6-3-2-4-7-21/h2-9,16,22,24,26-27,32H,10-15,17-20H2,1H3/t22-,24+,26+,27-/m1/s1
InChIKey	JIBJCGLYXNSLDN-PPKJMBTNSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(3R,6aS,8S,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]-1-(4-phenylpiperazin-1-yl)ethanone (CHEBI:98474) is a piperazines (CHEBI:26144)

Manual Xrefs	Databases
LSM-9853	LINCS