41K
Summary
| Name: | (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid |
| Formula: | C6 H9 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 191.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid |
| OpenEye OEToolkits | 1.9.2 | (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1(SCC(C(=O)O)N1)C |
| InChI | InChI | 1.03 | InChI=1S/C6H9NO4S/c1-6(5(10)11)7-3(2-12-6)4(8)9/h3,7H,2H2,1H3,(H,8,9)(H,10,11)/t3-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | JCAKCGQZNBEITC-BBIVZNJYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(N[C@@H](CS1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C]1(N[CH](CS1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@]1(N[C@@H](CS1)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1(NC(CS1)C(=O)O)C(=O)O |
