1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea

Properties Image MNX_ID MNXM339171 reference chebi:119013 formula C23H28N6O4 global charge 0 mol weight 452.515 InChIKey IYNBDOOKZCJAQL-JUXOCIIHSA-N InChI InChI=1S/C23H28N6O4/c1-32-21-7-3-2-6-18(21)25-23(31)26-19-9-8-17(33-22(19)15-30)10-12-29-14-20(27-28-29)16-5-4-11-24-13-16/h2-7,11,13-14,17,19,22,30H,8-10,12,15H2,1H3,(H2,25,26,31)/t17-,19-,22+/m1/s1 SMILES COC1=CC=CC=C1NC(=O)N[C@@H]1CC[C@H](CCN2C=C(C3=CN=CC=C3)N=N2)O[C@H]1CO MNX internals InChI (mnx) InChI=1/C23H28N6O4/c1-32-21-7-3-2-6-18(21)25-23(31)26-19-9-8-17(33-22(19)15-30)10-12-29-14-20(27-28-29)16-5-4-11-24-13-16/h2-7,11,13-14,17,19,22,30H,8-10,12,15H2,1H3,(H2,25,26,31)/t17-,19-,22+/m1/s1 SMILES (mnx) [CH3:1][O:32][C:21]1=[CH:7][CH:3]=[CH:2][CH:6]=[C:18]1[N:25]=[C:23]([NH:26][C@@H:19]1[CH2:9][CH2:8][C@H:17]([CH2:10][CH2:12][N:29]2[CH:14]=[C:20]([C:16]3=[CH:13][N:24]=[CH:11][CH:4]=[CH:5]3)[N:27]=[N:28]2)[O:33][C@H:22]1[CH2:15][OH:30])[OH:31]

Parent-child relations graph

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