CHEBI:99736 - 2,2,2-trifluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-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-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
ChEBI ID CHEBI:99736
Stars This entity has been manually annotated by a third party.
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Formula C23H31F3N4O5S2
Net Charge 0
Average Mass 564.644
Monoisotopic Mass 564.16880
InChI InChI=1S/C23H31F3N4O5S2/c1-15-10-30(12-21-27-7-8-36-21)16(2)13-35-19-6-5-17(28-37(32,33)14-23(24,25)26)9-18(19)22(31)29(3)11-20(15)34-4/h5-9,15-16,20,28H,10-14H2,1-4H3/t15-,16+,20-/m0/s1
InChIKey CQZVRHUHRGDROH-YRNRMSPPSA-N
SMILES C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)CC3=NC=CS3
ChEBI Ontology
Outgoing 2,2,2-trifluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:99736) is a azamacrocycle (CHEBI:52898)
2,2,2-trifluoro-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:99736) is a lactam (CHEBI:24995)
Manual Xref Database
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