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CHEBI:114161 - (2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-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:114161
ChEBI Name(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-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]1CN([C@@H](C)CO)C(=O)c2cc(C#CC3CCCCC3)cnc2O[C@@H]1CN(C)Cc1cccnc1
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-/m1/s1
InChIKeyNDPUBMYQFYUKKS-UMTXDNHDSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-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:114161) is a aromatic ether (CHEBI:35618)
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