EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119485 - (2R,3S)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:119485
ChEBI Name(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
Stars
DownloadsMolfile
FormulaC23H33N3O3
Net Charge0
Average Mass399.535
Monoisotopic Mass399.25219
SMILESCNC[C@@H]1Oc2ncc(C#CC3CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C23H33N3O3/c1-16-14-26(17(2)15-27)23(28)20-11-19(10-9-18-7-5-4-6-8-18)12-25-22(20)29-21(16)13-24-3/h11-12,16-18,21,24,27H,4-8,13-15H2,1-3H3/t16-,17-,21-/m0/s1
InChIKeyPFFBWYBXOPTHIK-FIKGOQFSSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:119485) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-30933LINCS