CHEBI:102250 - N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-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 N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
ChEBI ID CHEBI:102250
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H34F3N3O5S
Net Charge 0
Average Mass 509.585
Monoisotopic Mass 509.21713
InChI InChI=1S/C22H34F3N3O5S/c1-6-34(30,31)26-17-7-8-19-18(11-17)21(29)27(4)13-20(32-5)15(2)12-28(16(3)14-33-19)10-9-22(23,24)25/h7-8,11,15-16,20,26H,6,9-10,12-14H2,1-5H3/t15-,16+,20+/m1/s1
InChIKey QTXSGNVPDCTZEW-GUXCAODWSA-N
SMILES CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CCC(F)(F)F)C
ChEBI Ontology
Outgoing N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:102250) is a azamacrocycle (CHEBI:52898)
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:102250) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-13605 LINCS
View more database links