KKD
Summary
| Name: | N-acetyl-L-aspartic acid |
| Formula: | C6 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 175.139 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-acetyl-L-aspartic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-acetamidobutanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(C)=O)C(C(=O)O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | OTCCIMWXFLJLIA-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N[C@@H](CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NC(CC(=O)O)C(=O)O |
