EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127351 - (2S,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:127351
ChEBI Name(2S,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
Stars
DownloadsMolfile
FormulaC27H36N4O3
Net Charge0
Average Mass464.610
Monoisotopic Mass464.27874
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C27H36N4O3/c1-19-15-31(20(2)18-32)27(33)24-13-23(22-7-5-4-6-8-22)14-29-26(24)34-25(19)17-30(3)16-21-9-11-28-12-10-21/h7,9-14,19-20,25,32H,4-6,8,15-18H2,1-3H3/t19-,20-,25+/m0/s1
InChIKeyLZXHUUDTJFFTFM-ZYLNGJIFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:127351) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-38909LINCS