CHEBI:102539 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea

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ChEBI Name 1-(3,5-dimethyl-4-isoxazolyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
ChEBI ID CHEBI:102539
Stars This entity has been manually annotated by a third party.
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Formula C23H33N5O5
Net Charge 0
Average Mass 459.540
Monoisotopic Mass 459.24817
InChI InChI=1S/C23H33N5O5/c1-13-10-24-14(2)12-32-19-9-17(25-23(30)26-21-15(3)27-33-16(21)4)7-8-18(19)22(29)28(5)11-20(13)31-6/h7-9,13-14,20,24H,10-12H2,1-6H3,(H2,25,26,30)/t13-,14-,20+/m0/s1
InChIKey RYHWAKGNXXOPFN-PJSUUKDQSA-N
SMILES C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C
ChEBI Ontology
Outgoing 1-(3,5-dimethyl-4-isoxazolyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:102539) is a azamacrocycle (CHEBI:52898)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:102539) is a lactam (CHEBI:24995)
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