| Properties | Image |
|---|
| MNX_ID | MNXM1129103 |
 |
| reference | chebi:169936 |
| formula | C16H28N2O17S2 |
| global charge | 0 |
| mol weight | 584.531 |
| InChIKey | AWWPRNMYAMHESZ-JJYFQBDTSA-N |
| InChI | InChI=1S/C16H28N2O17S2/c1-5(20)17-9-11(22)13(7(3-19)32-15(9)24)34-16-10(18-6(2)21)12(23)14(35-37(28,29)30)8(33-16)4-31-36(25,26)27/h7-16,19,22-24H,3-4H2,1-2H3,(H,17,20)(H,18,21)(H,25,26,27)(H,28,29,30)/t7-,8-,9-,10-,11-,12-,13-,14+,15?,16+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C16H28N2O17S2/c1-5(20)17-9-11(22)13(7(3-19)32-15(9)24)34-16-10(18-6(2)21)12(23)14(35-37(28,29)30)8(33-16)4-31-36(25,26)27/h7-16,19,22-24H,3-4H2,1-2H3,(H,17,20)(H,18,21)(H,25,26,27)(H,28,29,30)/t7-,8-,9-,10-,11-,12-,13-,14+,15?,16+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:5](=[N:17][C@@H:9]1[C@@H:11]([OH:22])[C@H:13]([O:34][C@H:16]2[C@H:10]([N:18]=[C:6]([CH3:2])[OH:21])[C@@H:12]([OH:23])[C@@H:14]([O:35][S:37]([OH:28])(=[O:29])=[O:30])[C@@H:8]([CH2:4][O:31][S:36]([OH:25])(=[O:26])=[O:27])[O:33]2)[C@@H:7]([CH2:3][OH:19])[O:32][CH:15]1[OH:24])[OH:20] |
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