EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:95694 - (2S,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(2-pyridinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:95694
ChEBI Name(2S,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(2-pyridinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
Stars
DownloadsMolfile
FormulaC28H36N4O4
Net Charge0
Average Mass492.620
Monoisotopic Mass492.27366
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CC3(O)CCCC3)cnc2O[C@@H]1CN(C)Cc1ccccn1
InChIInChI=1S/C28H36N4O4/c1-20-16-32(21(2)19-33)27(34)24-14-22(9-12-28(35)10-5-6-11-28)15-30-26(24)36-25(20)18-31(3)17-23-8-4-7-13-29-23/h4,7-8,13-15,20-21,25,33,35H,5-6,10-11,16-19H2,1-3H3/t20-,21-,25+/m0/s1
InChIKeyUQYDBQHFUBHFMT-STWLZBDKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(2-pyridinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:95694) is a aminoalkylpyridine (CHEBI:38198)
Manual XrefsDatabases
LSM-7073LINCS