CHEBI:106908 - N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
ChEBI ID CHEBI:106908
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H41N3O6S
Net Charge 0
Average Mass 499.666
Monoisotopic Mass 499.27161
InChI InChI=1S/C24H41N3O6S/c1-17-14-27(18(2)16-28)24(29)21-13-20(25-34(6,30)31)10-11-22(21)33-19(3)9-7-8-12-32-23(17)15-26(4)5/h10-11,13,17-19,23,25,28H,7-9,12,14-16H2,1-6H3/t17-,18+,19+,23-/m1/s1
InChIKey HNAHSZOZZNPVNF-GKAYAJSDSA-N
SMILES C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C
ChEBI Ontology
Outgoing N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:106908) is a azamacrocycle (CHEBI:52898)
N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:106908) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-18262 LINCS
View more database links