KHB
Summary
| Name: | N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine |
| Formula: | C10 H20 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 232.277 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-6-[[(3~{S})-3-oxidanylbutanoyl]amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(O)=O)CCCCNC(=O)CC(O)C |
| InChI | InChI | 1.03 | InChI=1S/C10H20N2O4/c1-7(13)6-9(14)12-5-3-2-4-8(11)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | NFPICWYWQOLZEW-YUMQZZPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)CC(=O)NCCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](O)CC(=O)NCCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CC(=O)NCCCC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CC(=O)NCCCCC(C(=O)O)N)O |
