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CHEBI:96957 - (8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:96957
ChEBI Name(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[3-(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)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H34F3N5O3/c1-17-11-32(18(2)15-33)23(34)8-5-9-31-13-21(28-29-31)16-35-22(17)14-30(3)12-19-6-4-7-20(10-19)24(25,26)27/h4,6-7,10,13,17-18,22,33H,5,8-9,11-12,14-16H2,1-3H3/t17-,18+,22-/m1/s1
InChIKeyKWAFQNIHTBJTFB-KGVIQGDOSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96957) is a azamacrocycle (CHEBI:52898)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96957) is a lactam (CHEBI:24995)
Manual XrefsDatabases
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