GBG
Summary
| Name: | N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine |
| Formula: | C8 H16 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 221.685 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-6-(2-chloranylethanimidoylamino)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CC(N)C(O)=O)CCN/C(CCl)=N |
| InChI | InChI | 1.03 | InChI=1S/C8H16ClN3O2/c9-5-7(11)12-4-2-1-3-6(10)8(13)14/h6H,1-5,10H2,(H2,11,12)(H,13,14)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | MVFMGXXYJDHANY-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=N)CCl)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=N)CCl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(\CCl)/NCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CCNC(=N)CCl)CC(C(=O)O)N |
