EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96264 - N-[[(2S,3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide

ChEBI IDCHEBI:96264
ChEBI NameN-[[(2S,3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide
Stars
DownloadsMolfile
FormulaC23H33N3O6
Net Charge0
Average Mass447.532
Monoisotopic Mass447.23694
SMILESCOCC(=O)N(C)C[C@H]1Oc2ncc(C#CC(C)(C)O)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C23H33N3O6/c1-15-11-26(16(2)13-27)22(29)18-9-17(7-8-23(3,4)30)10-24-21(18)32-19(15)12-25(5)20(28)14-31-6/h9-10,15-16,19,27,30H,11-14H2,1-6H3/t15-,16+,19+/m0/s1
InChIKeyKFBFJFZZVCOITQ-FRQCXROJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2S,3S)-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide (CHEBI:96264) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-7643LINCS