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CHEBI:120109 - 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]-N-[(4-phenoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:120109
ChEBI Name2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]-N-[(4-phenoxyphenyl)methyl]acetamide
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DownloadsMolfile
FormulaC25H33N3O5
Net Charge0
Average Mass455.555
Monoisotopic Mass455.24202
SMILESCC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Oc3ccccc3)cc2)O[C@H]1CO
InChIInChI=1S/C25H33N3O5/c1-17(2)27-25(31)28-22-13-12-21(33-23(22)16-29)14-24(30)26-15-18-8-10-20(11-9-18)32-19-6-4-3-5-7-19/h3-11,17,21-23,29H,12-16H2,1-2H3,(H,26,30)(H2,27,28,31)/t21-,22+,23+/m1/s1
InChIKeyMGIGDAYWWJNGIV-VJBWXMMDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]-N-[(4-phenoxyphenyl)methyl]acetamide (CHEBI:120109) is a aromatic ether (CHEBI:35618)
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LSM-31552LINCS