CHEBI:97024 - N-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-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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ChEBI Name N-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-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 ID CHEBI:97024
Stars This entity has been manually annotated by a third party.
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Formula C29H36FN3O5S
Net Charge 0
Average Mass 557.679
Monoisotopic Mass 557.23597
InChI InChI=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
InChIKey FWJMPRMSYCMNDB-LGVUCKNBSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CCCCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-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:97024) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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