CHEBI:100454 - 2-fluoro-N-[(5S,6R,9S)-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]benzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-fluoro-N-[(5S,6R,9S)-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]benzamide
ChEBI ID CHEBI:100454
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H36FN3O4
Net Charge 0
Average Mass 485.592
Monoisotopic Mass 485.26898
InChI InChI=1S/C27H36FN3O4/c1-6-13-31-15-18(2)25(34-5)16-30(4)27(33)22-12-11-20(14-24(22)35-17-19(31)3)29-26(32)21-9-7-8-10-23(21)28/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H,29,32)/t18-,19+,25-/m1/s1
InChIKey HGUJNTNFLCOWHI-HHJKRLRDSA-N
SMILES CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC[C@@H]1C)C)OC)C
ChEBI Ontology
Outgoing 2-fluoro-N-[(5S,6R,9S)-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]benzamide (CHEBI:100454) is a azamacrocycle (CHEBI:52898)
2-fluoro-N-[(5S,6R,9S)-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]benzamide (CHEBI:100454) is a lactam (CHEBI:24995)
Manual Xref Database
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