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CHEBI:96176 - N-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzenesulfonamide

ChEBI IDCHEBI:96176
ChEBI NameN-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzenesulfonamide
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DownloadsMolfile
FormulaC29H36FN3O5S
Net Charge0
Average Mass557.688
Monoisotopic Mass557.23597
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CC3CCCCC3)cnc2O[C@@H]1CN(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C29H36FN3O5S/c1-20-17-33(21(2)19-34)29(35)26-14-23(13-12-22-8-5-4-6-9-22)16-31-28(26)38-27(20)18-32(3)39(36,37)25-11-7-10-24(30)15-25/h7,10-11,14-16,20-22,27,34H,4-6,8-9,17-19H2,1-3H3/t20-,21+,27-/m1/s1
InChIKeyFWJMPRMSYCMNDB-PBDKAQRYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzenesulfonamide (CHEBI:96176) is a sulfonamide (CHEBI:35358)
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