CHEBI:95607 - (2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

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ChEBI Name (2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:95607
Stars This entity has been manually annotated by a third party.
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Formula C25H37N3O5
Net Charge 0
Average Mass 459.579
Monoisotopic Mass 459.27332
InChI InChI=1S/C25H37N3O5/c1-17-13-28(18(2)16-29)25(31)22-11-21(6-5-19(3)30)12-26-24(22)33-23(17)15-27(4)14-20-7-9-32-10-8-20/h11-12,17-20,23,29-30H,7-10,13-16H2,1-4H3/t17-,18+,19+,23+/m1/s1
InChIKey AEYCXANGZGGWKX-XQQXVUDOSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#C[C@H](C)O)O[C@H]1CN(C)CC3CCOCC3)[C@@H](C)CO
ChEBI Ontology
Outgoing (2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:95607) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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