| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM1371844 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C22H31ClN4O7S2 |
| charge | 0 |
| mass | 563.081 |
| reference | chebi:53757 |
| InChIKey | WLQZEFFFIUHSJB-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H21ClN4OS.CH4O3S.3H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;1-5(2,3)4;;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H3,(H,2,3,4);3*1H2 |
| SMILES | [CH3:29][S:33]([OH:30])(=[O:31])=[O:32].[OH2:34].[OH2:35].[OH2:36].[cH:1]1[cH:2][cH:4][c:19]2[c:16]([cH:3]1)[c:21]([N:26]1[CH2:9][CH2:7][N:25]([CH2:6][CH2:5][c:14]3[cH:11][c:15]4[c:18]([cH:13][c:17]3[Cl:22])[N:23]=[C:20]([OH:27])[CH2:12]4)[CH2:8][CH2:10]1)[n:24][s:28]2 |
|
