1-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM341921 reference chebi:96086 formula C24H33F3N6O4 global charge 0 mol weight 526.56 InChIKey MTUQQJRKJJVDPI-WWMYMODYSA-N InChI InChI=1S/C24H33F3N6O4/c1-16-12-32(17(2)14-34)22(35)9-6-10-33-18(11-28-30-33)15-37-21(16)13-31(3)23(36)29-20-8-5-4-7-19(20)24(25,26)27/h4-5,7-8,11,16-17,21,34H,6,9-10,12-15H2,1-3H3,(H,29,36)/t16-,17+,21+/m1/s1 SMILES C[C@@H]1CN([C@@H](C)CO)C(=O)CCCN2N=NC=C2CO[C@H]1CN(C)C(=O)NC1=CC=CC=C1C(F)(F)F MNX internals InChI (mnx) InChI=1/C24H33F3N6O4/c1-16-12-32(17(2)14-34)22(35)9-6-10-33-18(11-28-30-33)15-37-21(16)13-31(3)23(36)29-20-8-5-4-7-19(20)24(25,26)27/h4-5,7-8,11,16-17,21,34H,6,9-10,12-15H2,1-3H3,(H,29,36)/t16-,17+,21+/m1/s1 SMILES (mnx) [CH3:1][C@@H:16]1[CH2:12][N:32]([C@@H:17]([CH3:2])[CH2:14][OH:34])[C:22](=[O:35])[CH2:9][CH2:6][CH2:10][N:33]2[C:18](=[CH:11][N:28]=[N:30]2)[CH2:15][O:37][C@H:21]1[CH2:13][N:31]([CH3:3])[C:23](=[N:29][C:20]1=[CH:8][CH:5]=[CH:4][CH:7]=[C:19]1[C:24]([F:25])([F:26])[F:27])[OH:36]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0