56C
Summary
| Name: | N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine |
| Formula: | C14 H30 N7 O5 |
| Formal charge: | 1 |
| Formula weight: | 376.432 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine |
| OpenEye OEToolkits | 1.9.2 | azanylidene-[2-[2-[2-[2-[[N-[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(=O)O)CCCN\C(=N)NCCOCCOCCOCC/N=[N+]=N |
| InChI | InChI | 1.03 | InChI=1S/C14H29N7O5/c15-12(13(22)23)2-1-3-18-14(16)19-4-6-24-8-10-26-11-9-25-7-5-20-21-17/h12,17H,1-11,15H2,(H3-,16,18,19,22,23)/p+1/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | WGFPPYKACPCFRG-LBPRGKRZSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCNC(=N)NCCOCCOCCOCCN=[N+]=N)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCNC(=N)NCCOCCOCCOCCN=[N+]=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCOCCOCCOCCN=[N+]=N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CC(C(=O)O)N)CNC(=N)NCCOCCOCCOCCN=[N+]=N |
