(2R)-N2-[2-(4-bicyclo[2.2.1]heptanyl)ethyl]-N1-[(2R,3R)-3-methyl-1-(methylamino)pentan-2-yl]hexane-1,2-diamine

Properties Image MNX_ID MNXM170356 reference chebi:112438 formula C22H45N3 global charge 0 mol weight 351.623 InChIKey HXWVJOJFQXWXFE-CAQIQVKASA-N InChI InChI=1S/C22H45N3/c1-5-7-8-20(16-25-21(17-23-4)18(3)6-2)24-14-13-22-11-9-19(15-22)10-12-22/h18-21,23-25H,5-17H2,1-4H3/t18-,19?,20-,21+,22?/m1/s1 SMILES CCCC[C@H](CN[C@@H](CNC)[C@H](C)CC)NCCC12CCC(CC1)C2 MNX internals InChI (mnx) InChI=1/C22H45N3/c1-5-7-8-20(16-25-21(17-23-4)18(3)6-2)24-14-13-22-11-9-19(15-22)10-12-22/h18-21,23-25H,5-17H2,1-4H3/t18-,19?,20-,21+,22?/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:7][CH2:8][C@H:20]([CH2:16][NH:25][C@@H:21]([CH2:17][NH:23][CH3:4])[C@H:18]([CH3:3])[CH2:6][CH3:2])[NH:24][CH2:14][CH2:13][C:22]12[CH2:11][CH2:9][CH:19]([CH2:10][CH2:12]1)[CH2:15]2

Parent-child relations graph

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