| PDB CCD ID: | 56C |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C14 H30 N7 O5 |
| InChI: | 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: | WGFPPYKACPCFRG-LBPRGKRZSA-O |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | NC(C(=O)O)CCCN\C(=N)NCCOCCOCCOCC/N=[N+]=N | | CACTVS 3.385 | N[CH](CCCNC(=N)NCCOCCOCCOCCN=[N+]=N)C(O)=O | | OpenEye OEToolkits 1.9.2 | C(CC(C(=O)O)N)CNC(=N)NCCOCCOCCOCCN=[N+]=N | | OpenEye OEToolkits 1.9.2 | [H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCOCCOCCOCCN=[N+]=N | | CACTVS 3.385 | N[C@@H](CCCNC(=N)NCCOCCOCCOCCN=[N+]=N)C(O)=O |
|
| Name: | N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine |
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