JX7
Summary
| Name: | 5-carbamimidamido-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-carbamimidamido-2-oxopentanoic acid |
| OpenEye OEToolkits | 2.0.6 | 5-carbamimidamido-2-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CCCNC(=N)\N)C(O)=O |
| 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 | 2.0.6 | [H]/N=C(/N)\NCCCC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CC(=O)C(=O)O)CNC(=N)N |
