EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96285 - 1-[[(2S,3S)-8-(2-cyclopropylethynyl)-5-[(2S)-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-propan-2-ylurea

ChEBI IDCHEBI:96285
ChEBI Name1-[[(2S,3S)-8-(2-cyclopropylethynyl)-5-[(2S)-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-propan-2-ylurea
Stars
DownloadsMolfile
FormulaC24H34N4O4
Net Charge0
Average Mass442.560
Monoisotopic Mass442.25801
SMILESCC(C)NC(=O)N(C)C[C@H]1Oc2ncc(C#CC3CC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C24H34N4O4/c1-15(2)26-24(31)27(5)13-21-16(3)12-28(17(4)14-29)23(30)20-10-19(9-8-18-6-7-18)11-25-22(20)32-21/h10-11,15-18,21,29H,6-7,12-14H2,1-5H3,(H,26,31)/t16-,17-,21+/m0/s1
InChIKeyMNKHAAOLWRLKCW-XGHQBKJUSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3S)-8-(2-cyclopropylethynyl)-5-[(2S)-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-propan-2-ylurea (CHEBI:96285) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-7664LINCS