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CHEBI:131073 - 2-[(3R,6aR,8S,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide

ChEBI IDCHEBI:131073
ChEBI Name2-[(3R,6aR,8S,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
Stars
DownloadsMolfile
FormulaC25H32FN3O4
Net Charge0
Average Mass457.546
Monoisotopic Mass457.23768
SMILESO=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCCc1ccncc1
InChIInChI=1S/C25H32FN3O4/c26-20-3-1-2-19(12-20)14-29-15-21(30)16-32-17-24-23(29)5-4-22(33-24)13-25(31)28-11-8-18-6-9-27-10-7-18/h1-3,6-7,9-10,12,21-24,30H,4-5,8,11,13-17H2,(H,28,31)/t21-,22+,23-,24+/m1/s1
InChIKeyXINMNOWMZQSCNC-QPXUXIHVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8S,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide (CHEBI:131073) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-42621LINCS