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CHEBI:96065 - 1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:96065
ChEBI Name1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC24H33F3N6O4
Net Charge0
Average Mass526.560
Monoisotopic Mass526.25154
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H33F3N6O4/c1-16-11-33(17(2)14-34)22(35)9-6-10-32-12-18(29-30-32)15-37-21(16)13-31(3)23(36)28-20-8-5-4-7-19(20)24(25,26)27/h4-5,7-8,12,16-17,21,34H,6,9-11,13-15H2,1-3H3,(H,28,36)/t16-,17+,21-/m1/s1
InChIKeyDTQFALQSFDATTM-LLGFUMIMSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea (CHEBI:96065) is a azamacrocycle (CHEBI:52898)
1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea (CHEBI:96065) is a lactam (CHEBI:24995)
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