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CHEBI:129828 - (2S,3S)-2-[[cyclopentylmethyl(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:129828
ChEBI Name(2S,3S)-2-[[cyclopentylmethyl(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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DownloadsMolfile
FormulaC28H36N4O3
Net Charge0
Average Mass476.621
Monoisotopic Mass476.27874
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#Cc3ccncc3)cnc2O[C@@H]1CN(C)CC1CCCC1
InChIInChI=1S/C28H36N4O3/c1-20-16-32(21(2)19-33)28(34)25-14-24(9-8-22-10-12-29-13-11-22)15-30-27(25)35-26(20)18-31(3)17-23-6-4-5-7-23/h10-15,20-21,23,26,33H,4-7,16-19H2,1-3H3/t20-,21-,26+/m0/s1
InChIKeyNRCNVCSURWCEHF-ISJBWFOZSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-2-[[cyclopentylmethyl(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:129828) is a aromatic ether (CHEBI:35618)
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