CHEBI:106191 - N-[[(2S,3R)-8-(2-cyclopentylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-pyridinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3R)-8-(2-cyclopentylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-pyridinecarboxamide
ChEBI ID CHEBI:106191
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB3169304, eMolecules:530368, ZINC000001530303
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Formula C28H34N4O4
Net Charge 0
Average Mass 490.595
Monoisotopic Mass 490.25801
InChI InChI=1S/C28H34N4O4/c1-19-16-32(20(2)18-33)28(35)24-14-22(9-8-21-6-4-5-7-21)15-30-26(24)36-25(19)17-31(3)27(34)23-10-12-29-13-11-23/h10-15,19-21,25,33H,4-7,16-18H2,1-3H3/t19-,20+,25-/m1/s1
InChIKey OOKFQDXWWBGNFU-OHUGHZGNSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CCCC3)O[C@@H]1CN(C)C(=O)C4=CC=NC=C4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3R)-8-(2-cyclopentylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:106191) is a pyridinecarboxamide (CHEBI:25529)
Manual Xref Database
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