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CHEBI:114173 - (2R,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:114173
ChEBI Name(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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FormulaC29H38N4O3
Net Charge0
Average Mass490.648
Monoisotopic Mass490.29439
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2cccnc2)Oc2ncc(C#CC3CCCCC3)cc2C1=O
InChIInChI=1S/C29H38N4O3/c1-21-17-33(22(2)20-34)29(35)26-14-24(12-11-23-8-5-4-6-9-23)16-31-28(26)36-27(21)19-32(3)18-25-10-7-13-30-15-25/h7,10,13-16,21-23,27,34H,4-6,8-9,17-20H2,1-3H3/t21-,22+,27-/m0/s1
InChIKeyNDPUBMYQFYUKKS-XXAUWVGASA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:114173) is a aromatic ether (CHEBI:35618)
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