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CHEBI:96288 - (2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:96288
ChEBI Name(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC25H33N5O3
Net Charge0
Average Mass451.571
Monoisotopic Mass451.25834
SMILESCC(C)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1cncnc1)O2
InChIInChI=1S/C25H33N5O3/c1-17(2)6-7-20-8-22-24(28-11-20)33-23(14-29(5)13-21-9-26-16-27-10-21)18(3)12-30(25(22)32)19(4)15-31/h8-11,16-19,23,31H,12-15H2,1-5H3/t18-,19-,23-/m1/s1
InChIKeyKVTAKNNJYPDOHV-DNVFCKCGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:96288) is a aromatic ether (CHEBI:35618)
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