C1J
Summary
| Name: | N~5~-(N-octylcarbamimidoyl)-L-ornithine |
| Formula: | C14 H30 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 286.414 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-(N-octylcarbamimidoyl)-L-ornithine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-5-[(~{N}-octylcarbamimidoyl)amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(O)=O)CCCN/C(NCCCCCCCC)=N |
| InChI | InChI | 1.03 | InChI=1S/C14H30N4O2/c1-2-3-4-5-6-7-10-17-14(16)18-11-8-9-12(15)13(19)20/h12H,2-11,15H2,1H3,(H,19,20)(H3,16,17,18)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | LFWWNZPTJURVEX-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCNC(=N)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCNC(=N)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/NCCCCCCCC)\NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCNC(=N)NCCCC(C(=O)O)N |
