CHEBI:106406 - 1-(3-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

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ChEBI Name 1-(3-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
ChEBI ID CHEBI:106406
Stars This entity has been manually annotated by a third party.
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Formula C27H35FN4O5
Net Charge 0
Average Mass 514.590
Monoisotopic Mass 514.25915
InChI InChI=1S/C27H35FN4O5/c1-6-25(33)32-14-17(2)24(36-5)15-31(4)26(34)22-11-10-21(13-23(22)37-16-18(32)3)30-27(35)29-20-9-7-8-19(28)12-20/h7-13,17-18,24H,6,14-16H2,1-5H3,(H2,29,30,35)/t17-,18+,24-/m1/s1
InChIKey BDMDWUGESBMSSG-NXMSCROESA-N
SMILES CCC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)OC[C@@H]1C)C)OC)C
ChEBI Ontology
Outgoing 1-(3-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:106406) is a azamacrocycle (CHEBI:52898)
1-(3-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:106406) is a lactam (CHEBI:24995)
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