EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:114017 - 1-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(2-fluorophenyl)-1-methylurea

ChEBI IDCHEBI:114017
ChEBI Name1-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(2-fluorophenyl)-1-methylurea
Stars
DownloadsMolfile
FormulaC22H26BrFN4O4
Net Charge0
Average Mass509.376
Monoisotopic Mass508.11215
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2F)Oc2ncc(Br)cc2C1=O
InChIInChI=1S/C22H26BrFN4O4/c1-13-10-28(14(2)12-29)21(30)16-8-15(23)9-25-20(16)32-19(13)11-27(3)22(31)26-18-7-5-4-6-17(18)24/h4-9,13-14,19,29H,10-12H2,1-3H3,(H,26,31)/t13-,14+,19+/m0/s1
InChIKeyFEPFVQGWSVEBSO-IQUTYRLHSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(2-fluorophenyl)-1-methylurea (CHEBI:114017) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-25449LINCS