CHEBI:110647 - N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyridinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyridinecarboxamide
ChEBI ID CHEBI:110647
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H36N4O4
Net Charge 0
Average Mass 468.589
Monoisotopic Mass 468.27366
InChI InChI=1S/C26H36N4O4/c1-6-13-30-15-18(2)24(33-5)16-29(4)26(32)21-11-10-20(14-23(21)34-17-19(30)3)28-25(31)22-9-7-8-12-27-22/h7-12,14,18-19,24H,6,13,15-17H2,1-5H3,(H,28,31)/t18-,19-,24-/m1/s1
InChIKey GANURQYVLISRBS-KHCICDEESA-N
SMILES CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)OC[C@H]1C)C)OC)C
ChEBI Ontology
Outgoing N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyridinecarboxamide (CHEBI:110647) is a azamacrocycle (CHEBI:52898)
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyridinecarboxamide (CHEBI:110647) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-22092 LINCS
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