1-(1,3-benzodioxol-5-yl)-3-[(2R,3S,6S)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea

Properties Image MNX_ID MNXM179406 reference chebi:118133 formula C21H30N6O5 global charge 0 mol weight 446.508 InChIKey JOZKTRAUEBYZEE-ZWOKBUDYSA-N InChI InChI=1S/C21H30N6O5/c1-26(2)10-15-11-27(25-24-15)8-7-16-4-5-17(20(12-28)32-16)23-21(29)22-14-3-6-18-19(9-14)31-13-30-18/h3,6,9,11,16-17,20,28H,4-5,7-8,10,12-13H2,1-2H3,(H2,22,23,29)/t16-,17-,20-/m0/s1 SMILES CN(C)CC1=CN(CC[C@@H]2CC[C@H](NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](CO)O2)N=N1 MNX internals InChI (mnx) InChI=1/C21H30N6O5/c1-26(2)10-15-11-27(25-24-15)8-7-16-4-5-17(20(12-28)32-16)23-21(29)22-14-3-6-18-19(9-14)31-13-30-18/h3,6,9,11,16-17,20,28H,4-5,7-8,10,12-13H2,1-2H3,(H2,22,23,29)/t16-,17-,20-/m0/s1 SMILES (mnx) [CH3:1][N:26]([CH3:2])[CH2:10][C:15]1=[CH:11][N:27]([CH2:8][CH2:7][C@@H:16]2[CH2:4][CH2:5][C@H:17]([NH:23][C:21](=[N:22][C:14]3=[CH:9][C:19]4=[C:18]([CH:6]=[CH:3]3)[O:30][CH2:13][O:31]4)[OH:29])[C@H:20]([CH2:12][OH:28])[O:32]2)[N:25]=[N:24]1

Parent-child relations graph

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