EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119517 - 2-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

ChEBI IDCHEBI:119517
ChEBI Name2-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
Stars
DownloadsMolfile
FormulaC29H29FN4O4
Net Charge0
Average Mass516.573
Monoisotopic Mass516.21728
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)c2ccccc2F)Oc2ncc(C#Cc3ccncc3)cc2C1=O
InChIInChI=1S/C29H29FN4O4/c1-19-16-34(20(2)18-35)29(37)24-14-22(9-8-21-10-12-31-13-11-21)15-32-27(24)38-26(19)17-33(3)28(36)23-6-4-5-7-25(23)30/h4-7,10-15,19-20,26,35H,16-18H2,1-3H3/t19-,20+,26-/m0/s1
InChIKeyWLIQRYRMKDXINK-UNVFRBQDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide (CHEBI:119517) is a carbonyl compound (CHEBI:36586)
2-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide (CHEBI:119517) is a organohalogen compound (CHEBI:17792)
Manual XrefsDatabases
LSM-30964LINCS