| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM161625 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C15H17N2NaO7S2 |
| charge | 0 |
| mass | 424.03749 |
| reference | keggD:D06138 |
| InChIKey | BVGLWBKHBMAPKY-QBGWIPKPSA-M |
| InChI | InChI=1S/C15H16N2O6S2.Na.H2O/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;1H2/q;+1;/p-1/t7-,8-,9+,12-;;/m1../s1 |
| SMILES | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)[O-].O.[Na+] |
|
