IAR
Summary
| Name: | (2E)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid |
| Formula: | C6 H12 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 172.185 Da |
| Component type: | PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-5-carbamimidamido-2-iminopentanoic acid |
| OpenEye OEToolkits | 1.7.0 | 5-carbamimidamido-2-imino-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(=[N@H])CCCNC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)NCCCC(=N)C(O)=O |
| SMILES | CACTVS | 3.370 | NC(=N)NCCCC(=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\CCCN/C(=N/[H])/N)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CC(=N)C(=O)O)CNC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h7H,1-3H2,(H,11,12)(H4,8,9,10)/b7-4+ |
| InChIKey | InChI | 1.03 | YWGYOCPWFDUKSA-QPJJXVBHSA-N |
