CHEBI:113966 - 3-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
ChEBI ID CHEBI:113966
Stars This entity has been manually annotated by a third party.
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Formula C21H26FN3O5S
Net Charge 0
Average Mass 451.514
Monoisotopic Mass 451.15772
InChI InChI=1S/C21H26FN3O5S/c1-14-11-25(15(2)13-26)21(27)18-8-5-9-23-20(18)30-19(14)12-24(3)31(28,29)17-7-4-6-16(22)10-17/h4-10,14-15,19,26H,11-13H2,1-3H3/t14-,15+,19-/m0/s1
InChIKey SJAFAYVALLBCEI-KHYOSLBOSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC=C2)O[C@H]1CN(C)S(=O)(=O)C3=CC=CC(=C3)F)[C@H](C)CO
ChEBI Ontology
Outgoing 3-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:113966) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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