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

Properties Image MNX_ID MNXM339394 reference chebi:120151 formula C20H28FN5O3 global charge 0 mol weight 405.474 InChIKey IVGXTVZUVQFGHY-LNLFQRSKSA-N InChI InChI=1S/C20H28FN5O3/c1-13(2)22-20(28)23-17-8-7-16(29-19(17)12-27)9-10-26-11-18(24-25-26)14-3-5-15(21)6-4-14/h3-6,11,13,16-17,19,27H,7-10,12H2,1-2H3,(H2,22,23,28)/t16-,17-,19-/m0/s1 SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CCN2C=C(C3=CC=C(F)C=C3)N=N2)O[C@H]1CO MNX internals InChI (mnx) InChI=1/C20H28FN5O3/c1-13(2)22-20(28)23-17-8-7-16(29-19(17)12-27)9-10-26-11-18(24-25-26)14-3-5-15(21)6-4-14/h3-6,11,13,16-17,19,27H,7-10,12H2,1-2H3,(H2,22,23,28)/t16-,17-,19-/m0/s1 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[N:22]=[C:20]([NH:23][C@H:17]1[CH2:8][CH2:7][C@@H:16]([CH2:9][CH2:10][N:26]2[CH:11]=[C:18]([C:14]3=[CH:4][CH:6]=[C:15]([F:21])[CH:5]=[CH:3]3)[N:24]=[N:25]2)[O:29][C@H:19]1[CH2:12][OH:27])[OH:28]

Parent-child relations graph

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