EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:128855 - (2S,3S)-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 IDCHEBI:128855
ChEBI Name(2S,3S)-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
Stars
DownloadsMolfile
FormulaC28H36FN3O3
Net Charge0
Average Mass481.612
Monoisotopic Mass481.27407
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccc(F)c2)Oc2ncc(C3=CCCCC3)cc2C1=O
InChIInChI=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+/m0/s1
InChIKeyAVFCLOVKAROERI-OUDXUNEISA-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)
(2S,3S)-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:128855) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-40407LINCS