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

Properties Image MNX_ID MNXM339564 reference chebi:118033 formula C23H28N6O4 global charge 0 mol weight 452.515 InChIKey YPLZJHKSEUDEKT-SYYKKAFVSA-N InChI InChI=1S/C23H28N6O4/c1-32-17-7-5-16(6-8-17)25-23(31)26-20-10-9-18(33-22(20)15-30)11-13-29-14-21(27-28-29)19-4-2-3-12-24-19/h2-8,12,14,18,20,22,30H,9-11,13,15H2,1H3,(H2,25,26,31)/t18-,20-,22-/m1/s1 SMILES COC1=CC=C(NC(=O)N[C@@H]2CC[C@H](CCN3C=C(C4=CC=CC=N4)N=N3)O[C@@H]2CO)C=C1 MNX internals InChI (mnx) InChI=1/C23H28N6O4/c1-32-17-7-5-16(6-8-17)25-23(31)26-20-10-9-18(33-22(20)15-30)11-13-29-14-21(27-28-29)19-4-2-3-12-24-19/h2-8,12,14,18,20,22,30H,9-11,13,15H2,1H3,(H2,25,26,31)/t18-,20-,22-/m1/s1 SMILES (mnx) [CH3:1][O:32][C:17]1=[CH:8][CH:6]=[C:16]([NH:25][C:23](=[N:26][C@@H:20]2[CH2:10][CH2:9][C@H:18]([CH2:11][CH2:13][N:29]3[CH:14]=[C:21]([C:19]4=[CH:4][CH:2]=[CH:3][CH:12]=[N:24]4)[N:27]=[N:28]3)[O:33][C@@H:22]2[CH2:15][OH:30])[OH:31])[CH:5]=[CH:7]1

Parent-child relations graph

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