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CHEBI:106263 - (2S,3R)-8-[2-(2-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

Default Structure
ChEBI IDCHEBI:106263
ChEBI Name(2S,3R)-8-[2-(2-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC23H26FN3O3
Net Charge0
Average Mass411.477
Monoisotopic Mass411.19582
SMILESCNC[C@H]1Oc2ncc(C#Cc3ccccc3F)cc2C(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C23H26FN3O3/c1-15-13-27(16(2)14-28)23(29)19-10-17(8-9-18-6-4-5-7-20(18)24)11-26-22(19)30-21(15)12-25-3/h4-7,10-11,15-16,21,25,28H,12-14H2,1-3H3/t15-,16-,21-/m1/s1
InChIKeyNUAJGQJLZRKPPD-WHSLLNHNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-8-[2-(2-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:106263) is a organofluorine compound (CHEBI:37143)
Manual XrefsDatabases
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