EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:110069 - (2S,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:110069
ChEBI Name(2S,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
Stars
DownloadsMolfile
FormulaC28H39N3O4
Net Charge0
Average Mass481.637
Monoisotopic Mass481.29406
SMILESCOc1cccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)CC2CCCC2)O3)c1
InChIInChI=1S/C28H39N3O4/c1-19-15-31(20(2)18-32)28(33)25-13-23(22-10-7-11-24(12-22)34-4)14-29-27(25)35-26(19)17-30(3)16-21-8-5-6-9-21/h7,10-14,19-21,26,32H,5-6,8-9,15-18H2,1-4H3/t19-,20+,26+/m0/s1
InChIKeyIDUFABHFDSGNRC-OUDXUNEISA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:110069) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-21496LINCS