CHEBI:100266 - (5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
ChEBI ID CHEBI:100266
Stars This entity has been manually annotated by a third party.
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Formula C23H35F3N4O6S
Net Charge 0
Average Mass 552.609
Monoisotopic Mass 552.22294
InChI InChI=1S/C23H35F3N4O6S/c1-6-9-27-22(32)30-11-15(2)20(35-5)12-29(4)21(31)18-8-7-17(10-19(18)36-13-16(30)3)28-37(33,34)14-23(24,25)26/h7-8,10,15-16,20,28H,6,9,11-14H2,1-5H3,(H,27,32)/t15-,16+,20+/m1/s1
InChIKey LVUSIZZVUUASSP-GUXCAODWSA-N
SMILES CCCNC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)OC[C@@H]1C)C)OC)C
ChEBI Ontology
Outgoing (5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide (CHEBI:100266) is a azamacrocycle (CHEBI:52898)
(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide (CHEBI:100266) is a lactam (CHEBI:24995)
Manual Xref Database
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