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

Properties Image MNX_ID MNXM339579 reference chebi:103440 formula C23H33N5O5 global charge 0 mol weight 459.547 InChIKey OLUPXTRBOWIZHH-YVWKXTFCSA-N InChI InChI=1S/C23H33N5O5/c1-32-19-7-3-2-6-17(19)24-22(30)25-18-9-8-16(33-20(18)15-29)10-13-28-14-21(26-27-28)23(31)11-4-5-12-23/h2-3,6-7,14,16,18,20,29,31H,4-5,8-13,15H2,1H3,(H2,24,25,30)/t16-,18-,20-/m1/s1 SMILES COC1=CC=CC=C1NC(=O)N[C@@H]1CC[C@H](CCN2C=C(C3(O)CCCC3)N=N2)O[C@@H]1CO MNX internals InChI (mnx) InChI=1/C23H33N5O5/c1-32-19-7-3-2-6-17(19)24-22(30)25-18-9-8-16(33-20(18)15-29)10-13-28-14-21(26-27-28)23(31)11-4-5-12-23/h2-3,6-7,14,16,18,20,29,31H,4-5,8-13,15H2,1H3,(H2,24,25,30)/t16-,18-,20-/m1/s1 SMILES (mnx) [CH3:1][O:32][C:19]1=[CH:7][CH:3]=[CH:2][CH:6]=[C:17]1[N:24]=[C:22]([NH:25][C@@H:18]1[CH2:9][CH2:8][C@H:16]([CH2:10][CH2:13][N:28]2[CH:14]=[C:21]([C:23]3([OH:31])[CH2:11][CH2:4][CH2:5][CH2:12]3)[N:26]=[N:27]2)[O:33][C@@H:20]1[CH2:15][OH:29])[OH:30]

Parent-child relations graph

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