B3D
Summary
| Name: | 3-AMINOPENTANEDIOIC ACID |
| Synonyms: | BETA-HOMOASPARTATE |
| Formula: | C5 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 147.129 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-aminopentanedioic acid |
| OpenEye OEToolkits | 1.7.6 | 3-azanylpentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(N)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10) |
| InChIKey | InChI | 1.03 | BBJIPMIXTXKYLZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(CC(O)=O)CC(O)=O |
| SMILES | CACTVS | 3.370 | NC(CC(O)=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(C(CC(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(CC(=O)O)N)C(=O)O |
