CHEBI:111930 - 1-(2,5-difluorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

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ChEBI Name 1-(2,5-difluorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
ChEBI ID CHEBI:111930
Stars This entity has been manually annotated by a third party.
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Formula C30H33F2N5O5
Net Charge 0
Average Mass 581.611
Monoisotopic Mass 581.24498
InChI InChI=1S/C30H33F2N5O5/c1-18-15-37(29(39)24-7-5-6-12-33-24)19(2)17-42-26-11-9-21(14-22(26)28(38)36(3)16-27(18)41-4)34-30(40)35-25-13-20(31)8-10-23(25)32/h5-14,18-19,27H,15-17H2,1-4H3,(H2,34,35,40)/t18-,19-,27-/m0/s1
InChIKey BPZWTLHMBRUMNW-BATDWUPUSA-N
SMILES C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=N4
ChEBI Ontology
Outgoing 1-(2,5-difluorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:111930) is a azamacrocycle (CHEBI:52898)
1-(2,5-difluorophenyl)-3-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:111930) is a lactam (CHEBI:24995)
Manual Xref Database
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