CHEBI:95855 - N-[[(2R,3R)-5-[(2R)-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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2R,3R)-5-[(2R)-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 ID CHEBI:95855
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000095678261
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Formula C26H32N4O4
Net Charge 0
Average Mass 464.558
Monoisotopic Mass 464.24236
InChI InChI=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+/m1/s1
InChIKey YBQMRNJYNXSOKR-PWHSHALESA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC(C)C)O[C@H]1CN(C)C(=O)C3=CN=CC=C3)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2R,3R)-5-[(2R)-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:95855) has functional parent nicotinamide (CHEBI:17154)
N-[[(2R,3R)-5-[(2R)-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:95855) is a pyridinecarboxamide (CHEBI:25529)
Manual Xref Database
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