CHEBI:128817 - (2R,3R)-8-(1-cyclohexenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3R)-8-(1-cyclohexenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:128817
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H36FN3O3
Net Charge 0
Average Mass 481.603
Monoisotopic Mass 481.27407
InChI InChI=1S/C28H36FN3O3/c1-19-15-32(20(2)18-33)28(34)25-13-23(22-9-5-4-6-10-22)14-30-27(25)35-26(19)17-31(3)16-21-8-7-11-24(29)12-21/h7-9,11-14,19-20,26,33H,4-6,10,15-18H2,1-3H3/t19-,20-,26+/m1/s1
InChIKey AVFCLOVKAROERI-KYTVRQNUSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@H]1CN(C)CC4=CC(=CC=C4)F)[C@H](C)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2R,3R)-8-(1-cyclohexenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:128817) is a aromatic amine (CHEBI:33860)
Manual Xref Database
LSM-40369 LINCS
View more database links