CHEBI:100400 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-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-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
ChEBI ID CHEBI:100400
Stars This entity has been manually annotated by a third party.
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Formula C26H36F3N5O5
Net Charge 0
Average Mass 555.591
Monoisotopic Mass 555.26685
InChI InChI=1S/C26H36F3N5O5/c1-15-12-34(10-9-26(27,28)29)16(2)14-38-21-8-7-19(11-20(21)24(35)33(5)13-22(15)37-6)30-25(36)31-23-17(3)32-39-18(23)4/h7-8,11,15-16,22H,9-10,12-14H2,1-6H3,(H2,30,31,36)/t15-,16-,22+/m1/s1
InChIKey PCJFVZCPKBPEAR-MCFFVMPBSA-N
SMILES C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F
ChEBI Ontology
Outgoing 1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:100400) is a azamacrocycle (CHEBI:52898)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:100400) is a lactam (CHEBI:24995)
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