4VI
Summary
| Name: | (2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid |
| Formula: | C6 H10 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 170.169 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid |
| OpenEye OEToolkits | 2.0.7 | (~{E})-2-azanylidene-5-carbamimidamido-pent-4-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N=C(C\C=C\NC(=N)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3,7H,2H2,(H,11,12)(H4,8,9,10)/b3-1+,7-4- |
| InChIKey | InChI | 1.03 | DTYASQOTNAATQJ-QJBDDWKRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)N/C=C/CC(=N)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=N)NC=CCC(=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/C/C=C/N/C(=N\[H])/N)\C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C=CNC(=N)N)C(=N)C(=O)O |
