CHEBI:113362 - (8R,9R)-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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (8R,9R)-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 ID CHEBI:113362
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 497.26137
InChI InChI=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
InChIKey QAXWADXATYBNKX-FGSXEWAUSA-N
SMILES C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC=C(C=C3)C(F)(F)F)N=N2)[C@@H](C)CO
ChEBI Ontology
Outgoing (8R,9R)-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:113362) is a azamacrocycle (CHEBI:52898)
(8R,9R)-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:113362) is a lactam (CHEBI:24995)
Manual Xref Database
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