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

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ChEBI Name 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 ID CHEBI:103012
Stars This entity has been manually annotated by a third party.
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Formula C29H37FN2O6S
Net Charge 0
Average Mass 560.679
Monoisotopic Mass 560.23564
InChI InChI=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
InChIKey SAJFZBDCMOWFNB-AEZNDSDVSA-N
SMILES C1C[C@H]2[C@@H](COC[C@H](CN2S(=O)(=O)C3=CC=CC=C3F)O)O[C@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5
ChEBI Ontology
Outgoing 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 Xref Database
LSM-14358 LINCS
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