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CHEBI:113631 - N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:113631
ChEBI NameN-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide
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FormulaC24H37N3O4
Net Charge0
Average Mass431.577
Monoisotopic Mass431.27841
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)C3CCCCC3)c2O[C@@H]1CN(C)C
InChIInChI=1S/C24H37N3O4/c1-16-13-27(17(2)15-28)24(30)19-11-8-12-20(22(19)31-21(16)14-26(3)4)25-23(29)18-9-6-5-7-10-18/h8,11-12,16-18,21,28H,5-7,9-10,13-15H2,1-4H3,(H,25,29)/t16-,17-,21-/m1/s1
InChIKeyROULRCQEBOLPNZ-CBGDNZLLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclohexanecarboxamide (CHEBI:113631) is a aromatic amide (CHEBI:62733)
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