CHEBI:95550 - 2-fluoro-N-[[(2R,3S)-5-[(2S)-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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ChEBI Name 2-fluoro-N-[[(2R,3S)-5-[(2S)-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 ID CHEBI:95550 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H29FN4O5S Net Charge 0 Average Mass 552.619 Monoisotopic Mass 552.18427 InChI InChI=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-/m0/s1 InChIKey QUERDMQYNZTGQF-RLSLOFABSA-N SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)[C@@H](C)CO ChEBI Ontology Outgoing 2-fluoro-N-[[(2R,3S)-5-[(2S)-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:95550) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-6929 LINCS View more database links