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CHEBI:126002 - (2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:126002
ChEBI Name(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC28H36N4O4
Net Charge0
Average Mass492.620
Monoisotopic Mass492.27366
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(C#Cc3ccncc3)cnc2O[C@H]1CN(C)CC1CCOCC1
InChIInChI=1S/C28H36N4O4/c1-20-16-32(21(2)19-33)28(34)25-14-24(5-4-22-6-10-29-11-7-22)15-30-27(25)36-26(20)18-31(3)17-23-8-12-35-13-9-23/h6-7,10-11,14-15,20-21,23,26,33H,8-9,12-13,16-19H2,1-3H3/t20-,21+,26+/m1/s1
InChIKeyIZHXFWGDPYEIJI-SWYRRKHMSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:126002) is a aromatic ether (CHEBI:35618)
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