EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124509 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:124509
ChEBI NameN-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
Stars
DownloadsMolfile
FormulaC31H43N3O5
Net Charge0
Average Mass537.701
Monoisotopic Mass537.32027
SMILESCOc1ccc(CN(C)C[C@H]2Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C31H43N3O5/c1-21-17-34(22(2)20-35)31(37)27-16-25(32-30(36)24-8-6-5-7-9-24)12-15-28(27)39-29(21)19-33(3)18-23-10-13-26(38-4)14-11-23/h10-16,21-22,24,29,35H,5-9,17-20H2,1-4H3,(H,32,36)/t21-,22+,29-/m1/s1
InChIKeyQQQKJHRAECATSB-UETOGOEVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide (CHEBI:124509) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-35951LINCS