CHEBI:126999 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide
ChEBI ID CHEBI:126999
Stars This entity has been manually annotated by a third party.
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Formula C37H47N3O5
Net Charge 0
Average Mass 613.788
Monoisotopic Mass 613.35157
InChI InChI=1S/C37H47N3O5/c1-26-22-40(27(2)25-41)36(42)21-30-20-31(38-37(43)29-10-6-4-7-11-29)16-19-34(30)45-35(26)24-39(3)23-28-14-17-33(18-15-28)44-32-12-8-5-9-13-32/h5,8-9,12-20,26-27,29,35,41H,4,6-7,10-11,21-25H2,1-3H3,(H,38,43)/t26-,27-,35-/m1/s1
InChIKey GEPWAINBAFOOPW-DOBRQBTGSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CCCCC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide (CHEBI:126999) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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