ERL
Summary
| Name: | (1S,2S)-2-azanyl-1-oxidanyl-hexane-1-sulfonic acid |
| Synonyms: | (2R)-2-acetamido-3-sulfanyl-propanoic acid |
| Formula: | C6 H15 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 197.253 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{S})-2-azanyl-1-oxidanyl-hexane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H15NO4S/c1-2-3-4-5(7)6(8)12(9,10)11/h5-6,8H,2-4,7H2,1H3,(H,9,10,11)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.06 | VTAATEODKMXWSG-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H](N)[C@@H](O)[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | CCCC[CH](N)[CH](O)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@@H]([C@H](O)S(=O)(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(C(O)S(=O)(=O)O)N |
