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CHEBI:125898 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:125898
ChEBI NameN-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
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DownloadsMolfile
FormulaC31H38N4O5
Net Charge0
Average Mass546.668
Monoisotopic Mass546.28422
SMILESCOc1ccc(CN(C)C[C@H]2Oc3ccc(NC(=O)c4ccncc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C31H38N4O5/c1-21-17-35(22(2)20-36)30(37)16-25-15-26(33-31(38)24-11-13-32-14-12-24)7-10-28(25)40-29(21)19-34(3)18-23-5-8-27(39-4)9-6-23/h5-15,21-22,29,36H,16-20H2,1-4H3,(H,33,38)/t21-,22-,29-/m1/s1
InChIKeyAGTOXIQHWXFKCO-IEOSBIPESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide (CHEBI:125898) is a pyridinecarboxamide (CHEBI:25529)
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