562
Summary
| Name: | N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine |
| Formula: | C12 H26 N7 O4 |
| Formal charge: | 1 |
| Formula weight: | 332.379 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine |
| OpenEye OEToolkits | 1.9.2 | azanylidene-[2-[2-[2-[[N-[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethoxy]ethoxy]ethylimino]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CCCN\C(=N)NCCOCCOCC\N=[N+]=N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H25N7O4/c13-10(11(20)21)2-1-3-16-12(14)17-4-6-22-8-9-23-7-5-18-19-15/h10,15H,1-9,13H2,(H3-,14,16,17,20,21)/p+1/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | LSTVCWRTCOJGHW-JTQLQIEISA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCNC(=N)NCCOCCOCCN=[N+]=N)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCNC(=N)NCCOCCOCCN=[N+]=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCOCCOCCN=[N+]=N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CC(C(=O)O)N)CNC(=N)NCCOCCOCCN=[N+]=N |
