EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:95605 - N-[[(2S,3R)-8-(2-fluorophenyl)-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-2-pyrazinecarboxamide

ChEBI IDCHEBI:95605
ChEBI NameN-[[(2S,3R)-8-(2-fluorophenyl)-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-2-pyrazinecarboxamide
Stars
DownloadsMolfile
FormulaC26H28FN5O4
Net Charge0
Average Mass493.539
Monoisotopic Mass493.21253
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3ccccc3F)cnc2O[C@@H]1CN(C)C(=O)c1cnccn1
InChIInChI=1S/C26H28FN5O4/c1-16-13-32(17(2)15-33)25(34)20-10-18(19-6-4-5-7-21(19)27)11-30-24(20)36-23(16)14-31(3)26(35)22-12-28-8-9-29-22/h4-12,16-17,23,33H,13-15H2,1-3H3/t16-,17+,23-/m1/s1
InChIKeyYCBIAWRDDHRJGU-SAHWJRBASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2S,3R)-8-(2-fluorophenyl)-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-2-pyrazinecarboxamide (CHEBI:95605) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-6984LINCS