CHEBI:106426 - 2,2,2-trifluoro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-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,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
ChEBI ID CHEBI:106426
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H31F6N3O5S
Net Charge 0
Average Mass 563.556
Monoisotopic Mass 563.18886
InChI InChI=1S/C22H31F6N3O5S/c1-14-10-31(8-7-21(23,24)25)15(2)12-36-18-9-16(29-37(33,34)13-22(26,27)28)5-6-17(18)20(32)30(3)11-19(14)35-4/h5-6,9,14-15,19,29H,7-8,10-13H2,1-4H3/t14-,15-,19-/m1/s1
InChIKey BYLLLMVPWHFWDU-SPYBWZPUSA-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)CCC(F)(F)F
ChEBI Ontology
Outgoing 2,2,2-trifluoro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:106426) is a azamacrocycle (CHEBI:52898)
2,2,2-trifluoro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:106426) is a lactam (CHEBI:24995)
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