1-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

Properties Image MNX_ID MNXM342026 reference chebi:95681 formula C24H33F3N6O4 global charge 0 mol weight 526.56 InChIKey DVUZCPZOEGBIKA-XGHQBKJUSA-N InChI InChI=1S/C24H33F3N6O4/c1-16-11-33(17(2)14-34)22(35)5-4-10-32-12-20(29-30-32)15-37-21(16)13-31(3)23(36)28-19-8-6-18(7-9-19)24(25,26)27/h6-9,12,16-17,21,34H,4-5,10-11,13-15H2,1-3H3,(H,28,36)/t16-,17-,21+/m0/s1 SMILES C[C@H]1CN([C@@H](C)CO)C(=O)CCCN2C=C(CO[C@@H]1CN(C)C(=O)NC1=CC=C(C(F)(F)F)C=C1)N=N2 MNX internals InChI (mnx) InChI=1/C24H33F3N6O4/c1-16-11-33(17(2)14-34)22(35)5-4-10-32-12-20(29-30-32)15-37-21(16)13-31(3)23(36)28-19-8-6-18(7-9-19)24(25,26)27/h6-9,12,16-17,21,34H,4-5,10-11,13-15H2,1-3H3,(H,28,36)/t16-,17-,21+/m0/s1 SMILES (mnx) [CH3:1][C@H:16]1[CH2:11][N:33]([C@@H:17]([CH3:2])[CH2:14][OH:34])[C:22](=[O:35])[CH2:5][CH2:4][CH2:10][N:32]2[CH:12]=[C:20]([CH2:15][O:37][C@@H:21]1[CH2:13][N:31]([CH3:3])[C:23]([NH:28][C:19]1=[CH:9][CH:7]=[C:18]([C:24]([F:25])([F:26])[F:27])[CH:6]=[CH:8]1)=[O:36])[N:29]=[N:30]2

Parent-child relations graph

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