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CHEBI:126448 - (2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-8-[2-(3-fluorophenyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

Default Structure
ChEBI IDCHEBI:126448
ChEBI Name(2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-8-[2-(3-fluorophenyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC29H36FN3O3
Net Charge0
Average Mass493.623
Monoisotopic Mass493.27407
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#Cc3cccc(F)c3)cnc2O[C@H]1CN(C)CC1CCCC1
InChIInChI=1S/C29H36FN3O3/c1-20-16-33(21(2)19-34)29(35)26-14-24(12-11-22-9-6-10-25(30)13-22)15-31-28(26)36-27(20)18-32(3)17-23-7-4-5-8-23/h6,9-10,13-15,20-21,23,27,34H,4-5,7-8,16-19H2,1-3H3/t20-,21-,27-/m0/s1
InChIKeyQJCUWZPLDSELBK-IZVMNLJQSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-8-[2-(3-fluorophenyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:126448) is a organofluorine compound (CHEBI:37143)
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