CHEBI:104707 - N-[(3S,9R,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]benzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(3S,9R,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]benzamide
ChEBI ID CHEBI:104707
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H41N3O5
Net Charge 0
Average Mass 511.654
Monoisotopic Mass 511.30462
InChI InChI=1S/C29H41N3O5/c1-20-18-32(21(2)19-33)29(35)25-16-24(31-28(34)23-11-6-5-7-12-23)13-14-26(25)37-22(3)10-8-9-15-36-27(20)17-30-4/h5-7,11-14,16,20-22,27,30,33H,8-10,15,17-19H2,1-4H3,(H,31,34)/t20-,21-,22+,27+/m1/s1
InChIKey AOLQWFIMADKXQA-YHZQYDDPSA-N
SMILES C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CNC
ChEBI Ontology
Outgoing N-[(3S,9R,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]benzamide (CHEBI:104707) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,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]benzamide (CHEBI:104707) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-16070 LINCS
View more database links