CHEBI:125349 - 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone

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ChEBI Name 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone
ChEBI ID CHEBI:125349
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H41N3O5
Net Charge 0
Average Mass 571.708
Monoisotopic Mass 571.30462
InChI InChI=1S/C34H41N3O5/c38-28-23-37(22-26-11-13-30(14-12-26)41-29-9-5-2-6-10-29)32-16-15-31(42-33(32)25-40-24-28)21-34(39)36-19-17-35(18-20-36)27-7-3-1-4-8-27/h1-14,28,31-33,38H,15-25H2/t28-,31+,32+,33-/m1/s1
InChIKey WFSMXLKWCXLDNK-KYXYXWHUSA-N
SMILES C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC=C(C=C3)OC4=CC=CC=C4)O)O[C@@H]1CC(=O)N5CCN(CC5)C6=CC=CC=C6
ChEBI Ontology
Outgoing 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone (CHEBI:125349) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-36821 LINCS
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