5ZZ
Summary
| Name: | (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid |
| Formula: | C8 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 219.258 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO4S/c1-7(2)4(5(10)11)9-8(3,14-7)6(12)13/h4,9H,1-3H3,(H,10,11)(H,12,13)/t4-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | VYZKCSMVPAWSBH-SPGJFGJESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)S[C@@](C)(N[C@@H]1C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC1(C)S[C](C)(N[CH]1C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@]1(N[C@@H](C(S1)(C)C)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC1(C(NC(S1)(C)C(=O)O)C(=O)O)C |
