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

Properties Image MNX_ID MNXM339596 reference chebi:122257 formula C23H31Cl2N5O3 global charge 0 mol weight 496.439 InChIKey UESSXGKYQCVSOE-UCNVEGJOSA-N InChI InChI=1S/C23H31Cl2N5O3/c24-18-8-6-16(12-19(18)25)26-23(32)27-20-9-7-17(33-22(20)14-31)10-11-30-13-21(28-29-30)15-4-2-1-3-5-15/h6,8,12-13,15,17,20,22,31H,1-5,7,9-11,14H2,(H2,26,27,32)/t17-,20+,22+/m0/s1 SMILES O=C(NC1=CC(Cl)=C(Cl)C=C1)N[C@@H]1CC[C@@H](CCN2C=C(C3CCCCC3)N=N2)O[C@@H]1CO MNX internals InChI (mnx) InChI=1/C23H31Cl2N5O3/c24-18-8-6-16(12-19(18)25)26-23(32)27-20-9-7-17(33-22(20)14-31)10-11-30-13-21(28-29-30)15-4-2-1-3-5-15/h6,8,12-13,15,17,20,22,31H,1-5,7,9-11,14H2,(H2,26,27,32)/t17-,20+,22+/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][CH2:4][CH:15]([C:21]2=[CH:13][N:30]([CH2:11][CH2:10][C@@H:17]3[CH2:7][CH2:9][C@@H:20]([NH:27][C:23](=[N:26][C:16]4=[CH:12][C:19]([Cl:25])=[C:18]([Cl:24])[CH:8]=[CH:6]4)[OH:32])[C@@H:22]([CH2:14][OH:31])[O:33]3)[N:29]=[N:28]2)[CH2:5][CH2:3]1

Parent-child relations graph

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