EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96069 - N-[[(2S,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide

ChEBI IDCHEBI:96069
ChEBI NameN-[[(2S,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide
Stars
DownloadsMolfile
FormulaC28H39N3O6
Net Charge0
Average Mass513.635
Monoisotopic Mass513.28389
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CC3(O)CCCC3)cnc2O[C@@H]1CN(C)C(=O)C1CCOCC1
InChIInChI=1S/C28H39N3O6/c1-19-16-31(20(2)18-32)27(34)23-14-21(6-11-28(35)9-4-5-10-28)15-29-25(23)37-24(19)17-30(3)26(33)22-7-12-36-13-8-22/h14-15,19-20,22,24,32,35H,4-5,7-10,12-13,16-18H2,1-3H3/t19-,20+,24-/m1/s1
InChIKeyFLFHXFOLABGIIH-JXALWOEJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2S,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide (CHEBI:96069) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-7448LINCS