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CHEBI:95728 - 1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:95728
ChEBI Name1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-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](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2C(F)(F)F)OCc2cnnn2CCCC1=O
InChIInChI=1S/C24H33F3N6O4/c1-16-12-32(17(2)14-34)22(35)9-6-10-33-18(11-28-30-33)15-37-21(16)13-31(3)23(36)29-20-8-5-4-7-19(20)24(25,26)27/h4-5,7-8,11,16-17,21,34H,6,9-10,12-15H2,1-3H3,(H,29,36)/t16-,17+,21+/m0/s1
InChIKeyMTUQQJRKJJVDPI-CSODHUTKSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea (CHEBI:95728) is a azamacrocycle (CHEBI:52898)
1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea (CHEBI:95728) is a lactam (CHEBI:24995)
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