CHEBI:104358 - 1-(3-fluorophenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(3-fluorophenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
ChEBI ID CHEBI:104358
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H37FN4O4
Net Charge 0
Average Mass 500.607
Monoisotopic Mass 500.27988
InChI InChI=1S/C27H37FN4O4/c1-6-12-32-15-18(2)25(35-5)16-31(4)26(33)23-14-22(10-11-24(23)36-17-19(32)3)30-27(34)29-21-9-7-8-20(28)13-21/h7-11,13-14,18-19,25H,6,12,15-17H2,1-5H3,(H2,29,30,34)/t18-,19+,25+/m0/s1
InChIKey ACQKEKFFNOLIKU-OSWQYVSFSA-N
SMILES CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)OC[C@H]1C)C)OC)C
ChEBI Ontology
Outgoing 1-(3-fluorophenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:104358) is a azamacrocycle (CHEBI:52898)
1-(3-fluorophenyl)-3-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:104358) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-15723 LINCS
View more database links