CHEBI:100143 - 1-[(5S,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(5S,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
ChEBI ID CHEBI:100143
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H33FN4O5
Net Charge 0
Average Mass 500.563
Monoisotopic Mass 500.24350
InChI InChI=1S/C26H33FN4O5/c1-16-13-31(18(3)32)17(2)15-36-23-12-21(29-26(34)28-20-8-6-7-19(27)11-20)9-10-22(23)25(33)30(4)14-24(16)35-5/h6-12,16-17,24H,13-15H2,1-5H3,(H2,28,29,34)/t16-,17+,24-/m1/s1
InChIKey MGTDWSJKTZULMI-XVTZWQNCSA-N
SMILES C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C
ChEBI Ontology
Outgoing 1-[(5S,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea (CHEBI:100143) is a azamacrocycle (CHEBI:52898)
1-[(5S,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea (CHEBI:100143) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-11522 LINCS
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