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(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

PropertiesImage
MNX_IDMNXM173522 Image of MNXM173522
referencechebi:113362
formulaC24H34F3N5O3
global charge0
mol weight497.562
InChIKeyQAXWADXATYBNKX-FGSXEWAUSA-N
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
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)CCCN2C=C(CO[C@H]1CN(C)CC1=CC=C(C(F)(F)F)C=C1)N=N2
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM173522
SMILES (mnx)[CH3:1][C@@H:17]1[CH2:11][N:32]([C@@H:18]([CH3:2])[CH2:15][OH:33])[C:23](=[O:34])[CH2:5][CH2:4][CH2:10][N:31]2[CH:13]=[C:21]([CH2:16][O:35][C@H:22]1[CH2:14][N:30]([CH3:3])[CH2:12][C:19]1=[CH:7][CH:9]=[C:20]([C:24]([F:25])([F:26])[F:27])[CH:8]=[CH:6]1)[N:28]=[N:29]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:113362
chebi:113362
QAXWADXATYBNKX-FGSXEWAUSA-N
(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