HJT
Summary
| Name: | (2~{S})-2-azanyl-4-sulfo-butanoic acid |
| Formula: | C4 H9 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 183.183 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-4-sulfo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | VBOQYPQEPHKASR-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC[S](O)(=O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC[S](O)(=O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CS(=O)(=O)O)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CS(=O)(=O)O)C(C(=O)O)N |
