A33
Summary
| Name: | 2-(carboxymethyl)-D-aspartic acid |
| Formula: | C6 H9 N O6 |
| Formal charge: | 0 |
| Formula weight: | 191.139 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(carboxymethyl)-D-aspartic acid |
| OpenEye OEToolkits | 1.5.0 | 2-aminopropane-1,2,3-tricarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(N)(C(=O)O)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(CC(O)=O)(CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | NC(CC(O)=O)(CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)C(CC(=O)O)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)C(CC(=O)O)(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H9NO6/c7-6(5(12)13,1-3(8)9)2-4(10)11/h1-2,7H2,(H,8,9)(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | ZJBWCVAEGNLETQ-UHFFFAOYSA-N |
