CHEBI:112003 - N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
ChEBI ID CHEBI:112003
Stars This entity has been manually annotated by a third party.
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Formula C26H34N4O5
Net Charge 0
Average Mass 482.573
Monoisotopic Mass 482.25292
InChI InChI=1S/C26H34N4O5/c1-17-14-30(25(32)11-20-7-6-10-27-13-20)18(2)16-35-23-12-21(28-19(3)31)8-9-22(23)26(33)29(4)15-24(17)34-5/h6-10,12-13,17-18,24H,11,14-16H2,1-5H3,(H,28,31)/t17-,18-,24+/m0/s1
InChIKey WEHQYIDEIBHSFW-LLJLJFOGSA-N
SMILES C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CC3=CN=CC=C3
ChEBI Ontology
Outgoing N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide (CHEBI:112003) is a azamacrocycle (CHEBI:52898)
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide (CHEBI:112003) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-23416 LINCS
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