1-[(2R,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea

Properties Image MNX_ID MNXM339363 reference chebi:100351 formula C20H25F2N5O3 global charge 0 mol weight 421.448 InChIKey HBSXUOUHADHDTK-ALKREAHSSA-N InChI InChI=1S/C20H25F2N5O3/c21-13-3-5-15(22)17(9-13)24-20(29)23-16-6-4-14(30-19(16)11-28)7-8-27-10-18(25-26-27)12-1-2-12/h3,5,9-10,12,14,16,19,28H,1-2,4,6-8,11H2,(H2,23,24,29)/t14-,16+,19+/m1/s1 SMILES O=C(NC1=C(F)C=CC(F)=C1)N[C@H]1CC[C@H](CCN2C=C(C3CC3)N=N2)O[C@H]1CO MNX internals InChI (mnx) InChI=1/C20H25F2N5O3/c21-13-3-5-15(22)17(9-13)24-20(29)23-16-6-4-14(30-19(16)11-28)7-8-27-10-18(25-26-27)12-1-2-12/h3,5,9-10,12,14,16,19,28H,1-2,4,6-8,11H2,(H2,23,24,29)/t14-,16+,19+/m1/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH:12]1[C:18]1=[CH:10][N:27]([CH2:8][CH2:7][C@H:14]2[CH2:4][CH2:6][C@H:16]([N:23]=[C:20]([NH:24][C:17]3=[C:15]([F:22])[CH:5]=[CH:3][C:13]([F:21])=[CH:9]3)[OH:29])[C@H:19]([CH2:11][OH:28])[O:30]2)[N:26]=[N:25]1

Parent-child relations graph

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