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CHEBI:96060 - 2-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide

ChEBI IDCHEBI:96060
ChEBI Name2-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
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DownloadsMolfile
FormulaC28H29FN4O5S
Net Charge0
Average Mass552.628
Monoisotopic Mass552.18427
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#Cc3cccnc3)cnc2O[C@@H]1CN(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C28H29FN4O5S/c1-19-16-33(20(2)18-34)28(35)23-13-22(11-10-21-7-6-12-30-14-21)15-31-27(23)38-25(19)17-32(3)39(36,37)26-9-5-4-8-24(26)29/h4-9,12-15,19-20,25,34H,16-18H2,1-3H3/t19-,20-,25-/m1/s1
InChIKeyQUERDMQYNZTGQF-UMEGOILYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:96060) is a sulfonamide (CHEBI:35358)
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