| Properties | Image |
|---|
| MNX_ID | MNXM33023 |
 |
| reference | metacycM:CPD-13601 |
| formula | C16H19N2O6S2 |
| global charge | -1 |
| mol weight | 399.47 |
| InChIKey | DEXHPNDGURCKFA-QMIVOQANSA-M |
| InChI | InChI=1S/C16H20N2O6S2/c19-7-11-12(20)13(21)14(22)15(23-11)24-18-6-8(5-17-16(25)26)9-3-1-2-4-10(9)18/h1-4,6,11-15,19-22H,5,7H2,(H2,17,25,26)/p-1/t11-,12-,13+,14-,15+/m1/s1 |
| SMILES | OC[C@H]1O[C@@H](ON2C=C(CNC(=S)[S-])C3=C2C=CC=C3)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C16H20N2O6S2/c19-7-11-12(20)13(21)14(22)15(23-11)24-18-6-8(5-17-16(25)26)9-3-1-2-4-10(9)18/h1-4,6,11-15,19-22H,5,7H2,(H2,17,25,26)/t11-,12-,13+,14-,15+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[C:8]([CH2:5][N:17]=[C:16]([SH:25])[SH:26])=[CH:6][N:18]2[O:24][C@H:15]1[C@H:14]([OH:22])[C@@H:13]([OH:21])[C@H:12]([OH:20])[C@@H:11]([CH2:7][OH:19])[O:23]1 |
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