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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

ChEBI IDCHEBI:126999
ChEBI NameN-[(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
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DownloadsMolfile
FormulaC37H47N3O5
Net Charge0
Average Mass613.799
Monoisotopic Mass613.35157
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=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
InChIKeyGEPWAINBAFOOPW-DOBRQBTGSA-N
ChEBI Ontology
Outgoing Relation(s)
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)
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