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CHEBI:95921 - N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide

ChEBI IDCHEBI:95921
ChEBI NameN-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide
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DownloadsMolfile
FormulaC26H32N4O4
Net Charge0
Average Mass464.566
Monoisotopic Mass464.24236
SMILESCC(C)C#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c1cccnc1)O2
InChIInChI=1S/C26H32N4O4/c1-17(2)8-9-20-11-22-24(28-12-20)34-23(18(3)14-30(26(22)33)19(4)16-31)15-29(5)25(32)21-7-6-10-27-13-21/h6-7,10-13,17-19,23,31H,14-16H2,1-5H3/t18-,19-,23-/m0/s1
InChIKeyYBQMRNJYNXSOKR-YDHSSHFGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide (CHEBI:95921) has functional parent nicotinamide (CHEBI:17154)
N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide (CHEBI:95921) is a pyridinecarboxamide (CHEBI:25529)
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