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CHEBI:96703 - N-[[(2R,3R)-8-[2-(2-fluorophenyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide

Default Structure
ChEBI IDCHEBI:96703
ChEBI NameN-[[(2R,3R)-8-[2-(2-fluorophenyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide
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DownloadsMolfile
FormulaC30H36FN3O4
Net Charge0
Average Mass521.633
Monoisotopic Mass521.26898
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(C#Cc3ccccc3F)cnc2O[C@H]1CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C30H36FN3O4/c1-20-17-34(21(2)19-35)30(37)25-15-22(13-14-23-9-7-8-12-26(23)31)16-32-28(25)38-27(20)18-33(3)29(36)24-10-5-4-6-11-24/h7-9,12,15-16,20-21,24,27,35H,4-6,10-11,17-19H2,1-3H3/t20-,21+,27+/m1/s1
InChIKeySOBUUYUTYHYENZ-BUEREQSYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2R,3R)-8-[2-(2-fluorophenyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide (CHEBI:96703) is a organofluorine compound (CHEBI:37143)
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