1-[[(8S,9S)-6-[(2R)-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-[3-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM342013 reference chebi:112458 formula C24H33F3N6O4 global charge 0 mol weight 526.56 InChIKey IQZUEXURVFCKFC-CSODHUTKSA-N InChI InChI=1S/C24H33F3N6O4/c1-16-12-32(17(2)14-34)22(35)8-5-9-33-20(11-28-30-33)15-37-21(16)13-31(3)23(36)29-19-7-4-6-18(10-19)24(25,26)27/h4,6-7,10-11,16-17,21,34H,5,8-9,12-15H2,1-3H3,(H,29,36)/t16-,17+,21+/m0/s1 SMILES C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2=CC=CC(C(F)(F)F)=C2)OCC2=CN=NN2CCCC1=O MNX internals InChI (mnx) InChI=1/C24H33F3N6O4/c1-16-12-32(17(2)14-34)22(35)8-5-9-33-20(11-28-30-33)15-37-21(16)13-31(3)23(36)29-19-7-4-6-18(10-19)24(25,26)27/h4,6-7,10-11,16-17,21,34H,5,8-9,12-15H2,1-3H3,(H,29,36)/t16-,17+,21+/m0/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])[CH2:8][CH2:5][CH2:9][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](=[N:29][C:19]1=[CH:7][CH:4]=[CH:6][C:18]([C:24]([F:25])([F:26])[F:27])=[CH:10]1)[OH:36]

Parent-child relations graph

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