NWG
Summary
| Name: | 5-[(diaminomethylidene)amino]-2-oxopentanoic acid |
| Formula: | C6 H11 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 173.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(diaminomethylidene)amino]-2-oxopentanoic acid |
| OpenEye OEToolkits | 2.0.7 | 5-[bis(azanyl)methylideneamino]-2-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(C(O)=O)CCC\N=C(/N)N |
| InChI | InChI | 1.03 | InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9) |
| InChIKey | InChI | 1.03 | ARBHXJXXVVHMET-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(N)=NCCCC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(N)=NCCCC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CC(=O)C(=O)O)CN=C(N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(=O)C(=O)O)CN=C(N)N |
