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

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ChEBI Name 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 ID CHEBI:124509 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H43N3O5 Net Charge 0 Average Mass 537.691 Monoisotopic Mass 537.32027 InChI InChI=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 InChIKey QQQKJHRAECATSB-UETOGOEVSA-N SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)OC)[C@@H](C)CO Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Xref Database LSM-35951 LINCS View more database links