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CHEBI:124332 - 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-10-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:124332
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-10-yl]cyclohexanecarboxamide
Stars
DownloadsMolfile
FormulaC31H43N3O5
Net Charge0
Average Mass537.701
Monoisotopic Mass537.32027
SMILESCOc1ccc(CN(C)C[C@H]2Oc3c(NC(=O)C4CCCCC4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C31H43N3O5/c1-21-17-34(22(2)20-35)31(37)26-11-8-12-27(32-30(36)24-9-6-5-7-10-24)29(26)39-28(21)19-33(3)18-23-13-15-25(38-4)16-14-23/h8,11-16,21-22,24,28,35H,5-7,9-10,17-20H2,1-4H3,(H,32,36)/t21-,22+,28-/m1/s1
InChIKeyRDEWLIZJYRBFOA-RZIGYZOXSA-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-10-yl]cyclohexanecarboxamide (CHEBI:124332) is a aromatic amine (CHEBI:33860)
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