1.0 2020-03-03 19:33:04 UTC 2020-04-22 15:56:16 UTC BMDB0063969 BMDB63969 Leucyl-Lysine L-K Dipeptide L-Leucyl-L-lysine Leu-lys Leucine lysine dipeptide Leucine-lysine dipeptide Leucyllysine LK Dipeptide L-Leucyl-lysine 6-Amino-2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]hexanoate Leucyl-lysine C12H25N3O3 259.3452 259.189591681 6-amino-2-(2-amino-4-methylpentanamido)hexanoic acid 6-amino-2-(2-amino-4-methylpentanamido)hexanoic acid CC(C)CC(N)C(=O)NC(CCCCN)C(O)=O InChI=1S/C12H25N3O3/c1-8(2)7-9(14)11(16)15-10(12(17)18)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18) OTXBNHIUIHNGAO-UHFFFAOYSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Alpha amino acid amides Amino acids Amino fatty acids Branched fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Leucine and derivatives Medium-chain fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amino fatty acid Branched fatty acid Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative Leucine or derivatives Medium-chain fatty acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aliphatic acyclic compounds logp -1.96 ALOGPS logs -1.79 ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 4 ChemAxon pka_strongest_basic 10.21 ChemAxon iupac 6-amino-2-(2-amino-4-methylpentanamido)hexanoic acid ChemAxon average_mass 259.3452 ChemAxon mono_mass 259.189591681 ChemAxon smiles CC(C)CC(N)C(=O)NC(CCCCN)C(O)=O ChemAxon formula C12H25N3O3 ChemAxon inchi InChI=1S/C12H25N3O3/c1-8(2)7-9(14)11(16)15-10(12(17)18)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18) ChemAxon inchikey OTXBNHIUIHNGAO-UHFFFAOYSA-N ChemAxon polar_surface_area 118.44 ChemAxon refractivity 68.78 ChemAxon polarizability 29.29 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 11321 Specdb::CMs 40984 Specdb::CMs 135637 Specdb::CMs 143371 Specdb::MsMs 291001 Specdb::MsMs 291002 Specdb::MsMs 291003 Specdb::MsMs 330808 Specdb::MsMs 330809 Specdb::MsMs 330810 Specdb::MsMs 2446834 Specdb::MsMs 2446835 Specdb::MsMs 2446836 Specdb::MsMs 2518419 Specdb::MsMs 2518420 Specdb::MsMs 2518421 Specdb::NmrOneD 106338 Specdb::NmrOneD 106339 Specdb::NmrOneD 106340 Specdb::NmrOneD 106341 Specdb::NmrOneD 106342 Specdb::NmrOneD 106343 Specdb::NmrOneD 106344 Specdb::NmrOneD 106345 Specdb::NmrOneD 106346 Specdb::NmrOneD 106347 Specdb::NmrOneD 106348 Specdb::NmrOneD 106349 Specdb::NmrOneD 106350 Specdb::NmrOneD 106351 Specdb::NmrOneD 106352 Specdb::NmrOneD 106353 Specdb::NmrOneD 106354 Specdb::NmrOneD 106355 Specdb::NmrOneD 106356 Specdb::NmrOneD 106357 FDB111961 14048382 14299197