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CHEBI:130594 - (2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:130594
ChEBI Name(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(2-pyridin-4-ylethynyl)-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#Cc3ccncc3)cnc2O[C@@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C29H38N4O3/c1-21-17-33(22(2)20-34)29(35)26-15-25(10-9-23-11-13-30-14-12-23)16-31-28(26)36-27(21)19-32(3)18-24-7-5-4-6-8-24/h11-16,21-22,24,27,34H,4-8,17-20H2,1-3H3/t21-,22-,27+/m0/s1
InChIKeyBTVCLUFNXWPDPX-BCQCSXDESA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:130594) is a aromatic ether (CHEBI:35618)
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