CHEBI:100004 - 1-(2,5-difluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

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ChEBI Name 1-(2,5-difluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
ChEBI ID CHEBI:100004
Stars This entity has been manually annotated by a third party.
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Formula C29H32F2N6O5
Net Charge 0
Average Mass 582.599
Monoisotopic Mass 582.24022
InChI InChI=1S/C29H32F2N6O5/c1-17-14-37(28(39)24-13-32-9-10-33-24)18(2)16-42-25-12-20(6-7-21(25)27(38)36(3)15-26(17)41-4)34-29(40)35-23-11-19(30)5-8-22(23)31/h5-13,17-18,26H,14-16H2,1-4H3,(H2,34,35,40)/t17-,18-,26+/m0/s1
InChIKey ZXQGUZCJBQNBQR-QSAFDGGLSA-N
SMILES C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=NC=CN=C4
ChEBI Ontology
Outgoing 1-(2,5-difluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:100004) is a azamacrocycle (CHEBI:52898)
1-(2,5-difluorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:100004) is a lactam (CHEBI:24995)
Manual Xref Database
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