CHEBI:104328 - N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
ChEBI ID CHEBI:104328
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H33N3O8S
Net Charge 0
Average Mass 547.623
Monoisotopic Mass 547.19884
InChI InChI=1S/C26H33N3O8S/c1-16-12-29(25(30)18-6-9-21-23(10-18)37-15-36-21)17(2)14-35-22-11-19(27-38(5,32)33)7-8-20(22)26(31)28(3)13-24(16)34-4/h6-11,16-17,24,27H,12-15H2,1-5H3/t16-,17-,24-/m0/s1
InChIKey JZGYUICVYOVPMO-UAVUOLJFSA-N
SMILES C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC4=C(C=C3)OCO4
ChEBI Ontology
Outgoing N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide (CHEBI:104328) is a azamacrocycle (CHEBI:52898)
N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide (CHEBI:104328) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-15693 LINCS
View more database links