CHEBI:101998 - 1-(2-fluorophenyl)-3-[(4R,7R,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-(2-fluorophenyl)-3-[(4R,7R,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:101998
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/c1-6-13-32-15-18(2)25(35-5)16-31(4)26(33)21-14-20(11-12-24(21)36-17-19(32)3)29-27(34)30-23-10-8-7-9-22(23)28/h7-12,14,18-19,25H,6,13,15-17H2,1-5H3,(H2,29,30,34)/t18-,19-,25-/m1/s1
InChIKey HTKHLCDDEOIAQO-MPCDZSKCSA-N
SMILES CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)OC[C@H]1C)C)OC)C
ChEBI Ontology
Outgoing 1-(2-fluorophenyl)-3-[(4R,7R,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:101998) is a azamacrocycle (CHEBI:52898)
1-(2-fluorophenyl)-3-[(4R,7R,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:101998) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-13359 LINCS
View more database links