C4G
Summary
| Name: | N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine |
| Formula: | C9 H21 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 231.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-5-[[~{N}-(3-azanylpropyl)carbamimidoyl]amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(O)=O)CCCN\C(=N)NCCCN |
| InChI | InChI | 1.03 | InChI=1S/C9H21N5O2/c10-4-2-6-14-9(12)13-5-1-3-7(11)8(15)16/h7H,1-6,10-11H2,(H,15,16)(H3,12,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | SXJFFTCQBXWXAY-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCNC(=N)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCCNC(=N)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCCN |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CC(C(=O)O)N)CNC(=N)NCCCN |
