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CHEBI:124425 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:124425
ChEBI NameN-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
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DownloadsMolfile
FormulaC22H28N4O4
Net Charge0
Average Mass412.490
Monoisotopic Mass412.21106
SMILESCNC[C@@H]1Oc2ccc(NC(=O)c3ccncc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C22H28N4O4/c1-14-12-26(15(2)13-27)22(29)18-10-17(4-5-19(18)30-20(14)11-23-3)25-21(28)16-6-8-24-9-7-16/h4-10,14-15,20,23,27H,11-13H2,1-3H3,(H,25,28)/t14-,15-,20-/m0/s1
InChIKeyZXKRGMHNDBNPIZ-AVYPCKFXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:124425) is a pyridinecarboxamide (CHEBI:25529)
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