LLO
Summary
Name: | N~6~-[(1S)-3-hydroxy-1,3-dimethylbutyl]-L-lysine |
Synonyms: | 4-Hydroxy-4-Methyl-2-Pentanone |
Formula: | C12 H26 N2 O3 |
Formal charge: | 0 |
Formula weight: | 246.346 Da |
Component type: | L-peptide linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N~6~-[(2S)-4-hydroxy-4-methylpentan-2-yl]-L-lysine |
OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-6-[[(2S)-4-hydroxy-4-methyl-pentan-2-yl]amino]hexanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCCNC(CC(O)(C)C)C |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](CC(C)(C)O)NCCCC[C@H](N)C(O)=O |
SMILES | CACTVS | 3.370 | C[CH](CC(C)(C)O)NCCCC[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H](CC(C)(C)O)NCCCC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(CC(C)(C)O)NCCCCC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C12H26N2O3/c1-9(8-12(2,3)17)14-7-5-4-6-10(13)11(15)16/h9-10,14,17H,4-8,13H2,1-3H3,(H,15,16)/t9-,10-/m0/s1 |
InChIKey | InChI | 1.03 | DFHXLOGIWRRFER-UWVGGRQHSA-N |