CHEBI:102092 - 2,2,2-trifluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2,2-trifluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
ChEBI ID CHEBI:102092
Stars This entity has been manually annotated by a third party.
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Formula C25H33F3N4O5S
Net Charge 0
Average Mass 558.616
Monoisotopic Mass 558.21238
InChI InChI=1S/C25H33F3N4O5S/c1-17-12-32(13-19-6-5-9-29-11-19)18(2)15-37-22-10-20(30-38(34,35)16-25(26,27)28)7-8-21(22)24(33)31(3)14-23(17)36-4/h5-11,17-18,23,30H,12-16H2,1-4H3/t17-,18+,23-/m1/s1
InChIKey FDHKBRYHKGCIFQ-IEGUWTFLSA-N
SMILES C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@H]1OC)C)C)CC3=CN=CC=C3
ChEBI Ontology
Outgoing 2,2,2-trifluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:102092) is a azamacrocycle (CHEBI:52898)
2,2,2-trifluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:102092) is a lactam (CHEBI:24995)
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