CHEBI:104314 - 1-[(4S,7S,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]-3-propan-2-ylurea

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ChEBI Name 1-[(4S,7S,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]-3-propan-2-ylurea
ChEBI ID CHEBI:104314
Stars This entity has been manually annotated by a third party.
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Formula C24H37F3N4O4
Net Charge 0
Average Mass 502.571
Monoisotopic Mass 502.27669
InChI InChI=1S/C24H37F3N4O4/c1-15(2)28-23(33)29-18-7-8-20-19(11-18)22(32)30(5)13-21(34-6)16(3)12-31(17(4)14-35-20)10-9-24(25,26)27/h7-8,11,15-17,21H,9-10,12-14H2,1-6H3,(H2,28,29,33)/t16-,17-,21-/m0/s1
InChIKey LWXKGGIJWSHZGV-FIKGOQFSSA-N
SMILES C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F
ChEBI Ontology
Outgoing 1-[(4S,7S,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]-3-propan-2-ylurea (CHEBI:104314) is a azamacrocycle (CHEBI:52898)
1-[(4S,7S,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]-3-propan-2-ylurea (CHEBI:104314) is a lactam (CHEBI:24995)
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