EKN
Summary
| Name: | (2~{S})-2-(2-azanylethylamino)butanedioic acid |
| Formula: | C6 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 176.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-(2-azanylethylamino)butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O4/c7-1-2-8-4(6(11)12)3-5(9)10/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | PDDUTYPDHMQVSU-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCN[C@@H](CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCN[CH](CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CN[C@@H](CC(=O)O)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CNC(CC(=O)O)C(=O)O)N |
