CHEBI:106771 - N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
ChEBI ID CHEBI:106771
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H39N3O6S
Net Charge 0
Average Mass 485.639
Monoisotopic Mass 485.25596
InChI InChI=1S/C23H39N3O6S/c1-16-14-26(17(2)15-27)23(28)20-12-19(25-33(5,29)30)9-10-21(20)32-18(3)8-6-7-11-31-22(16)13-24-4/h9-10,12,16-18,22,24-25,27H,6-8,11,13-15H2,1-5H3/t16-,17-,18+,22-/m1/s1
InChIKey GOTBAIXNEHVFNA-QSNWEANLSA-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)CNC
ChEBI Ontology
Outgoing N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:106771) is a azamacrocycle (CHEBI:52898)
N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:106771) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-18126 LINCS
View more database links