CHEBI:111846 - N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide
ChEBI ID CHEBI:111846
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H35N3O4
Net Charge 0
Average Mass 453.575
Monoisotopic Mass 453.26276
InChI InChI=1S/C26H35N3O4/c1-18-15-28(3)19(2)17-33-23-14-21(27-25(30)13-20-9-7-6-8-10-20)11-12-22(23)26(31)29(4)16-24(18)32-5/h6-12,14,18-19,24H,13,15-17H2,1-5H3,(H,27,30)/t18-,19-,24+/m0/s1
InChIKey GLJKQBVQGMWNRJ-AXHZCLLHSA-N
SMILES C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C
ChEBI Ontology
Outgoing N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide (CHEBI:111846) is a azamacrocycle (CHEBI:52898)
N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide (CHEBI:111846) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-23259 LINCS
View more database links