1-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-(4-fluorophenyl)urea

Properties Image MNX_ID MNXM339593 reference chebi:118478 formula C15H22FN3O3 global charge 0 mol weight 311.357 InChIKey PNFPPQXPTKVRON-BFHYXJOUSA-N InChI InChI=1S/C15H22FN3O3/c16-10-1-3-11(4-2-10)18-15(21)19-13-6-5-12(7-8-17)22-14(13)9-20/h1-4,12-14,20H,5-9,17H2,(H2,18,19,21)/t12-,13+,14+/m0/s1 SMILES NCC[C@@H]1CC[C@@H](NC(=O)NC2=CC=C(F)C=C2)[C@@H](CO)O1 MNX internals InChI (mnx) InChI=1/C15H22FN3O3/c16-10-1-3-11(4-2-10)18-15(21)19-13-6-5-12(7-8-17)22-14(13)9-20/h1-4,12-14,20H,5-9,17H2,(H2,18,19,21)/t12-,13+,14+/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:11]([NH:18][C:15](=[N:19][C@@H:13]2[CH2:6][CH2:5][C@@H:12]([CH2:7][CH2:8][NH2:17])[O:22][C@@H:14]2[CH2:9][OH:20])[OH:21])=[CH:4][CH:2]=[C:10]1[F:16]

Parent-child relations graph

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