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CHEBI:96070 - (8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:96070
ChEBI Name(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-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)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H34F3N5O3/c1-17-11-32(18(2)15-33)23(34)5-4-10-31-13-21(28-29-31)16-35-22(17)14-30(3)12-19-6-8-20(9-7-19)24(25,26)27/h6-9,13,17-18,22,33H,4-5,10-12,14-16H2,1-3H3/t17-,18+,22-/m1/s1
InChIKeyQAXWADXATYBNKX-KGVIQGDOSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96070) is a azamacrocycle (CHEBI:52898)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96070) is a lactam (CHEBI:24995)
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