9SE
Summary
| Name: | (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid |
| Formula: | C6 H9 N O4 Se |
| Formal charge: | 0 |
| Formula weight: | 238.1 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H9NO4Se/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 | YQSKWMPEENRPTH-BBIVZNJYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(N[C@@H](C[Se]1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C]1(N[CH](C[Se]1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@]1(N[C@@H](C[Se]1)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC1(NC(C[Se]1)C(=O)O)C(=O)O |
