KPI
Summary
| Name: | (2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid |
| Formula: | C9 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 216.234 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (E)-N~6~-(1-carboxyethylidene)-L-lysine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C(N)CCCC\N=C(/C)C(O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H16N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,12,13)(H,14,15)/b11-6+/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | JXBWDTJQFXOTMZ-KEXZDQNZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=NCCCC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=NCCCC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=NCCCCC(C(=O)O)N)C(=O)O |
