CHEBI:95799 - N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
ChEBI ID CHEBI:95799
Stars This entity has been manually annotated by a third party.
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Formula C20H29N3O6S
Net Charge 0
Average Mass 439.528
Monoisotopic Mass 439.17771
InChI InChI=1S/C20H29N3O6S/c1-14-11-23(15(2)13-24)20(25)17-9-16(7-6-8-28-4)10-21-19(17)29-18(14)12-22(3)30(5,26)27/h9-10,14-15,18,24H,8,11-13H2,1-5H3/t14-,15-,18-/m1/s1
InChIKey ZLBUSWVWPMDVDO-IIDMSEBBSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCOC)O[C@@H]1CN(C)S(=O)(=O)C)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide (CHEBI:95799) is a aromatic ether (CHEBI:35618)
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