KZ5
Summary
| Name: | (2~{S})-2-(dimethylamino)-3-(2-sulfo-1~{H}-imidazol-4-yl)propanoic acid |
| Formula: | C8 H13 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 263.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(dimethylamino)-3-(2-sulfo-1~{H}-imidazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H13N3O5S/c1-11(2)6(7(12)13)3-5-4-9-8(10-5)17(14,15)16/h4,6H,3H2,1-2H3,(H,9,10)(H,12,13)(H,14,15,16)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | OQJDKDQHBPCLDD-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[C@@H](Cc1c[nH]c(n1)[S](O)(=O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CN(C)[CH](Cc1c[nH]c(n1)[S](O)(=O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)[C@@H](Cc1c[nH]c(n1)S(=O)(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(Cc1c[nH]c(n1)S(=O)(=O)O)C(=O)O |
