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-[4-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM341926 reference chebi:126320 formula C24H33F3N6O4 global charge 0 mol weight 526.56 InChIKey MHRPTBSVTMBPJG-WWMYMODYSA-N InChI InChI=1S/C24H33F3N6O4/c1-16-12-32(17(2)14-34)22(35)5-4-10-33-20(11-28-30-33)15-37-21(16)13-31(3)23(36)29-19-8-6-18(7-9-19)24(25,26)27/h6-9,11,16-17,21,34H,4-5,10,12-15H2,1-3H3,(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=C(C(F)(F)F)C=C1 MNX internals InChI (mnx) InChI=1/C24H33F3N6O4/c1-16-12-32(17(2)14-34)22(35)5-4-10-33-20(11-28-30-33)15-37-21(16)13-31(3)23(36)29-19-8-6-18(7-9-19)24(25,26)27/h6-9,11,16-17,21,34H,4-5,10,12-15H2,1-3H3,(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])[CH2:5][CH2:4][CH2:10][N:33]2[C:20](=[CH:11][N:28]=[N:30]2)[CH2:15][O:37][C@H:21]1[CH2:13][N:31]([CH3:3])[C:23]([NH:29][C:19]1=[CH:9][CH:7]=[C:18]([C:24]([F:25])([F:26])[F:27])[CH:6]=[CH:8]1)=[O:36]

Parent-child relations graph

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