C6D
Summary
| Name: | N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine |
| Formula: | C9 H20 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-5-[[~{N}-(3-oxidanylpropyl)carbamimidoyl]amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(=O)O)CCCN\C(=N)NCCCO |
| InChI | InChI | 1.03 | InChI=1S/C9H20N4O3/c10-7(8(15)16)3-1-4-12-9(11)13-5-2-6-14/h7,14H,1-6,10H2,(H,15,16)(H3,11,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | YCHONDWDFOKMRR-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCNC(=N)NCCCO)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCNC(=N)NCCCO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCCO |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CC(C(=O)O)N)CNC(=N)NCCCO |
