2KJ
Summary
| Name: | N~5~-(N-ethoxycarbamimidoyl)-L-ornithine |
| Formula: | C8 H18 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 218.254 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-(N-ethoxycarbamimidoyl)-L-ornithine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-5-[(N-ethoxycarbamimidoyl)amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCNC(=[N@H])NOCC |
| InChI | InChI | 1.03 | InChI=1S/C8H18N4O3/c1-2-15-12-8(10)11-5-3-4-6(9)7(13)14/h6H,2-5,9H2,1H3,(H,13,14)(H3,10,11,12)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | RVVPNRVWAPOQMA-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCONC(=N)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | CCONC(=N)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\NCCC[C@@H](C(=O)O)N)/NOCC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCONC(=N)NCCCC(C(=O)O)N |
