1-[(2R,3S,6R)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea

Properties Image MNX_ID MNXM339371 reference chebi:101577 formula C20H28FN5O3 global charge 0 mol weight 405.474 InChIKey BSYBIQMXMHXRRQ-AOIWGVFYSA-N InChI InChI=1S/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17+,19+/m1/s1 SMILES CCCNC(=O)N[C@H]1CC[C@H](CCN2C=C(C3=CC(F)=CC=C3)N=N2)O[C@H]1CO MNX internals InChI (mnx) InChI=1/C20H28FN5O3/c1-2-9-22-20(28)23-17-7-6-16(29-19(17)13-27)8-10-26-12-18(24-25-26)14-4-3-5-15(21)11-14/h3-5,11-12,16-17,19,27H,2,6-10,13H2,1H3,(H2,22,23,28)/t16-,17+,19+/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:9][N:22]=[C:20]([NH:23][C@H:17]1[CH2:7][CH2:6][C@H:16]([CH2:8][CH2:10][N:26]2[CH:12]=[C:18]([C:14]3=[CH:11][C:15]([F:21])=[CH:5][CH:3]=[CH:4]3)[N:24]=[N:25]2)[O:29][C@H:19]1[CH2:13][OH:27])[OH:28]

Parent-child relations graph

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