1AL
Summary
| Name: | ALLANTOATE ION |
| Synonyms: | DIUREIDO-ACETATE |
| Formula: | C4 H7 N4 O4 |
| Formal charge: | -1 |
| Formula weight: | 175.123 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | bis(carbamoylamino)acetate |
| OpenEye OEToolkits | 1.5.0 | 2,2-bis(aminocarbonylamino)ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C([O-])=O)NC(=O)N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)NC(NC(N)=O)C([O-])=O |
| SMILES | CACTVS | 3.341 | NC(=O)NC(NC(N)=O)C([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)[O-])(NC(=O)N)NC(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)[O-])(NC(=O)N)NC(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)/p-1 |
| InChIKey | InChI | 1.03 | NUCLJNSWZCHRKL-UHFFFAOYSA-M |
