EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111787 - 1-cyclohexyl-3-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

ChEBI IDCHEBI:111787
ChEBI Name1-cyclohexyl-3-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
Stars
DownloadsMolfile
FormulaC24H38N4O4
Net Charge0
Average Mass446.592
Monoisotopic Mass446.28931
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O
InChIInChI=1S/C24H38N4O4/c1-16-13-28(17(2)15-29)23(30)20-12-19(10-11-21(20)32-22(16)14-27(3)4)26-24(31)25-18-8-6-5-7-9-18/h10-12,16-18,22,29H,5-9,13-15H2,1-4H3,(H2,25,26,31)/t16-,17+,22-/m0/s1
InChIKeyVXFJIZOVTNBNAE-JKSBSHDWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-cyclohexyl-3-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:111787) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-23200LINCS