| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM1372043 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C28H38Cl3N4O |
| charge | -1 |
| mass | 552.989 |
| reference | seedM:cpd09338 |
| InChIKey | YMMOELGRZRDNCQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C28H37ClN4O.2ClH/c29-24-11-12-26-23(21-24)10-9-22-7-2-3-8-25(22)33(26)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32;;/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34);2*1H/p-1 |
| SMILES | [CH2:1]1[CH2:4][CH2:16][N:32]([C:28]2([C:27](=[NH:30])[OH:34])[CH2:13][CH2:19][N:31]([CH2:15][CH2:6][CH2:18][N:33]3[c:25]4[cH:8][cH:3][cH:2][cH:7][c:22]4[CH2:9][CH2:10][c:23]4[cH:21][c:24]([Cl:29])[cH:11][cH:12][c:26]43)[CH2:20][CH2:14]2)[CH2:17][CH2:5]1.[ClH:35].[ClH:36] |
|
