EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96534 - 4-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile

ChEBI IDCHEBI:96534
ChEBI Name4-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile
Stars
DownloadsMolfile
FormulaC29H38N4O3
Net Charge0
Average Mass490.648
Monoisotopic Mass490.29439
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2O[C@@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C29H38N4O3/c1-20-16-33(21(2)19-34)29(35)26-13-25(24-11-9-22(14-30)10-12-24)15-31-28(26)36-27(20)18-32(3)17-23-7-5-4-6-8-23/h9-13,15,20-21,23,27,34H,4-8,16-19H2,1-3H3/t20-,21-,27+/m0/s1
InChIKeyGKYOEOUZTXHXGV-NOMHHCBYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile (CHEBI:96534) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-7913LINCS