CHEBI:113524 - (8S,9R)-6-[(2S)-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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (8S,9R)-6-[(2S)-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 ID CHEBI:113524
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H34F3N5O3
Net Charge 0
Average Mass 497.555
Monoisotopic Mass 497.261
InChI InChI=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-/m0/s1
InChIKey QZCZRKJJOTUXQW-SPEDKVCISA-N
SMILES C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC=CC=C3C(F)(F)F)[C@@H](C)CO
ChEBI Ontology
Outgoing (8S,9R)-6-[(2S)-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:113524) is a azamacrocycle (CHEBI:52898)
(8S,9R)-6-[(2S)-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:113524) is a lactam (CHEBI:24995)
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