EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96552 - 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]-1-methyl-3-propylurea

ChEBI IDCHEBI:96552
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]-1-methyl-3-propylurea
Stars
DownloadsMolfile
FormulaC19H29BrN4O4
Net Charge0
Average Mass457.369
Monoisotopic Mass456.13722
SMILESCCCNC(=O)N(C)C[C@H]1Oc2ncc(Br)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C19H29BrN4O4/c1-5-6-21-19(27)23(4)10-16-12(2)9-24(13(3)11-25)18(26)15-7-14(20)8-22-17(15)28-16/h7-8,12-13,16,25H,5-6,9-11H2,1-4H3,(H,21,27)/t12-,13+,16+/m0/s1
InChIKeyLKDAMHONCJEZRZ-WOSRLPQWSA-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]-1-methyl-3-propylurea (CHEBI:96552) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-7931LINCS