EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96458 - N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide

ChEBI IDCHEBI:96458
ChEBI NameN-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
Stars
DownloadsMolfile
FormulaC23H31N3O5S
Net Charge0
Average Mass461.584
Monoisotopic Mass461.19844
SMILESCc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)S(C)(=O)=O)O3)cc1
InChIInChI=1S/C23H31N3O5S/c1-15-6-8-18(9-7-15)19-10-20-22(24-11-19)31-21(13-25(4)32(5,29)30)16(2)12-26(23(20)28)17(3)14-27/h6-11,16-17,21,27H,12-14H2,1-5H3/t16-,17-,21+/m1/s1
InChIKeyYNLPQPKWJFYZTR-LZJOCLMNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide (CHEBI:96458) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-7837LINCS