D20
Summary
| Name: | N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-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 | 10.04 | N~5~-[N-(2-methoxyethyl)carbamimidoyl]-L-ornithine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-5-[(N-(2-methoxyethyl)carbamimidoyl)amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCCNC(=[N@H])NCCOC |
| SMILES_CANONICAL | CACTVS | 3.341 | COCCNC(=N)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | COCCNC(=N)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COCCNC(=N)NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | COCCNC(=N)NCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | XMBSMMCPKFDGEO-ZETCQYMHSA-N |
