Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C9H19NO5S/c1-3(11)4(10)8-6(13)5(12)7(14)9(15-8)16-2/h3-9,11-14H,10H2,1-2H3/t3-,4-,5+,6-,7-,8-,9-/m1/s1 |
InChIKey | InChI | 1.06 | AEEIMWYSDWZKAT-HJTGYUAHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CS[C@H]1O[C@H]([C@H](N)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.385 | CS[CH]1O[CH]([CH](N)[CH](C)O)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)N)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(C1C(C(C(C(O1)SC)O)O)O)N)O |