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CHEBI:96996 - (8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

ChEBI IDCHEBI:96996
ChEBI Name(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
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DownloadsMolfile
FormulaC24H34F3N5O3
Net Charge0
Average Mass497.562
Monoisotopic Mass497.26137
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C24H34F3N5O3/c1-17-12-31(18(2)15-33)23(34)9-6-10-32-20(11-28-29-32)16-35-22(17)14-30(3)13-19-7-4-5-8-21(19)24(25,26)27/h4-5,7-8,11,17-18,22,33H,6,9-10,12-16H2,1-3H3/t17-,18-,22-/m1/s1
InChIKeyQZCZRKJJOTUXQW-JBYIUTFZSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:96996) is a azamacrocycle (CHEBI:52898)
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:96996) is a lactam (CHEBI:24995)
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