EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130634 - (2R,3R)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylphenyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:130634
ChEBI Name(2R,3R)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylphenyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
Stars
DownloadsMolfile
FormulaC28H39N3O3
Net Charge0
Average Mass465.638
Monoisotopic Mass465.29914
SMILESCc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)CC2CCCC2)O3)cc1
InChIInChI=1S/C28H39N3O3/c1-19-9-11-23(12-10-19)24-13-25-27(29-14-24)34-26(17-30(4)16-22-7-5-6-8-22)20(2)15-31(28(25)33)21(3)18-32/h9-14,20-22,26,32H,5-8,15-18H2,1-4H3/t20-,21-,26+/m1/s1
InChIKeyHUDOXNPGJVTKHC-YPCDYVTLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylphenyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:130634) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-42183LINCS