A1BIH
Summary
| Name: | N~2~-octanoyl-L-lysine |
| Formula: | C14 H28 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 272.384 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N~2~-octanoyl-L-lysine |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-6-azanyl-2-(octanoylamino)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NC(CCCCN)C(=O)O)CCCCCCC |
| InChI | InChI | 1.06 | InChI=1S/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-12(14(18)19)9-7-8-11-15/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | GGCVGFFRMZLQBP-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)N[C@@H](CCCCN)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCC(=O)N[CH](CCCCN)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCCCCC(=O)NC(CCCCN)C(=O)O |
