EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:103012 - 2-[(3S,6aS,8R,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone

ChEBI IDCHEBI:103012
ChEBI Name2-[(3S,6aS,8R,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone
Stars
DownloadsMolfile
FormulaC29H37FN2O6S
Net Charge0
Average Mass560.688
Monoisotopic Mass560.23564
SMILESO=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2S(=O)(=O)c2ccccc2F)O1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H37FN2O6S/c30-25-8-4-5-9-28(25)39(35,36)32-18-23(33)19-37-20-27-26(32)11-10-24(38-27)17-29(34)31-14-12-22(13-15-31)16-21-6-2-1-3-7-21/h1-9,22-24,26-27,33H,10-20H2/t23-,24+,26-,27+/m0/s1
InChIKeySAJFZBDCMOWFNB-AEZNDSDVSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aS,8R,10aS)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone (CHEBI:103012) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-14358LINCS