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CHEBI:96333 - (2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(2-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:96333
ChEBI Name(2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(2-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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FormulaC28H36N4O3
Net Charge0
Average Mass476.621
Monoisotopic Mass476.27874
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#Cc3ccccn3)cnc2O[C@H]1CN(C)CC1CCCC1
InChIInChI=1S/C28H36N4O3/c1-20-16-32(21(2)19-33)28(34)25-14-23(11-12-24-10-6-7-13-29-24)15-30-27(25)35-26(20)18-31(3)17-22-8-4-5-9-22/h6-7,10,13-15,20-22,26,33H,4-5,8-9,16-19H2,1-3H3/t20-,21-,26-/m0/s1
InChIKeyCLQLHKYRPGBFMB-WOVHNISZSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(2-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:96333) is a aromatic ether (CHEBI:35618)
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