MIK
Summary
| Name: | METHYL ISONICOTINIMIDATE LYSINE |
| Formula: | C12 H18 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 250.297 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (Z)-N~6~-[amino(pyridin-4-yl)methylidene]-L-lysine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-6-[(amino-pyridin-4-yl-methylidene)amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCCC/N=C(/c1ccncc1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCCN=C(N)c1ccncc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCCN=C(N)c1ccncc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cnccc1/C(=N/CCCC[C@@H](C(=O)O)N)/N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cnccc1C(=NCCCCC(C(=O)O)N)N |
| InChI | InChI | 1.03 | InChI=1S/C12H18N4O2/c13-10(12(17)18)3-1-2-6-16-11(14)9-4-7-15-8-5-9/h4-5,7-8,10H,1-3,6,13H2,(H2,14,16)(H,17,18)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | PJJTVLHYIWKZDX-JTQLQIEISA-N |
