CHEBI:95916 - N-[[(2R,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-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-oxanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2R,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-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-oxanecarboxamide
ChEBI ID CHEBI:95916
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H39N3O6
Net Charge 0
Average Mass 513.627
Monoisotopic Mass 513.28389
InChI InChI=1S/C28H39N3O6/c1-19-16-31(20(2)18-32)27(34)23-14-21(6-11-28(35)9-4-5-10-28)15-29-25(23)37-24(19)17-30(3)26(33)22-7-12-36-13-8-22/h14-15,19-20,22,24,32,35H,4-5,7-10,12-13,16-18H2,1-3H3/t19-,20+,24+/m1/s1
InChIKey FLFHXFOLABGIIH-NMMYMHLASA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3(CCCC3)O)O[C@H]1CN(C)C(=O)C4CCOCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2R,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-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-oxanecarboxamide (CHEBI:95916) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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