CHEBI:106244 - (2S,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-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 (2S,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:106244
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H34FN3O4
Net Charge 0
Average Mass 507.597
Monoisotopic Mass 507.25333
InChI InChI=1S/C29H34FN3O4/c1-19-15-33(20(2)18-34)29(35)25-13-22(24-7-5-6-8-26(24)36-4)14-31-28(25)37-27(19)17-32(3)16-21-9-11-23(30)12-10-21/h5-14,19-20,27,34H,15-18H2,1-4H3/t19-,20-,27+/m0/s1
InChIKey OEWYWQPTOLBINC-OWOAZTCBSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3OC)O[C@@H]1CN(C)CC4=CC=C(C=C4)F)[C@@H](C)CO
ChEBI Ontology
Outgoing (2S,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:106244) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-17605 LINCS
View more database links