1.0 2016-09-30 23:14:24 UTC 2020-04-22 15:15:03 UTC BMDB0004987 BMDB04987 Alpha-Aspartyl-lysine Alpha-Aspartyl-lysine alpha-Aspartyllysine DK L-alpha-Asp-L-lys L-Asp-L-lys a-Aspartyl-lysine Α-aspartyl-lysine a-Aspartyllysine Α-aspartyllysine L-a-Asp-L-lys L-Α-asp-L-lys Aspartyllysine alpha-Asp-lys L-Aspartyl-L-lysine N2-L-a-Aspartyl-L-lysine N2-L-alpha-Aspartyl-L-lysine N-epsilon-(beta-Aspartyl)lysine beta-Aspartyl-epsilon-lysine Asp-Lys Aspartate lysine dipeptide Aspartate-lysine dipeptide Aspartic acid lysine dipeptide Aspartic acid-lysine dipeptide Aspartyl-lysine D-K dipeptide DK dipeptide L-alpha-Aspartyl-L-lysine L-α-Aspartyl-L-lysine N2-Aspartyllysine N2-L-Aspartyl-L-lysine N2-L-alpha-Aspartyllysine N2-L-α-Aspartyl-L-lysine N2-L-α-Aspartyllysine N2-alpha-Aspartyllysine N2-alpha-L-Aspartyl-L-lysine N2-α-Aspartyllysine N2-α-L-Aspartyl-L-lysine alpha-Asp-Lys alpha-L-Asp-L-Lys alpha-L-Aspartyl-L-lysine α-Asp-Lys α-L-Asp-L-Lys α-L-Aspartyl-L-lysine C10H19N3O5 261.275 261.132470733 (2S)-6-amino-2-[(2S)-2-amino-3-carboxypropanamido]hexanoic acid L-aspartyl-l-lysine 5891-51-0 NCCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1 OAMLVOVXNKILLQ-BQBZGAKWSA-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 Aspartic acid and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Medium-chain fatty acids Monoalkylamines N-acyl amines N-acyl-L-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 Aspartic acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative Medium-chain fatty acid N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid 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 dipeptide Solid logp -4.00 ALOGPS logs -1.63 ALOGPS logp -6.4 ChemAxon pka_strongest_acidic 3.14 ChemAxon pka_strongest_basic 10.21 ChemAxon iupac (2S)-6-amino-2-[(2S)-2-amino-3-carboxypropanamido]hexanoic acid ChemAxon average_mass 261.275 ChemAxon mono_mass 261.132470733 ChemAxon smiles NCCCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O ChemAxon formula C10H19N3O5 ChemAxon inchi InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1 ChemAxon inchikey OAMLVOVXNKILLQ-BQBZGAKWSA-N ChemAxon polar_surface_area 155.74 ChemAxon refractivity 61.14 ChemAxon polarizability 26.33 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 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 21556 Specdb::CMs 38827 Specdb::CMs 163011 Specdb::NmrTwoD 1946 Specdb::MsMs 2424 Specdb::MsMs 2425 Specdb::MsMs 2426 Specdb::MsMs 313924 Specdb::MsMs 313925 Specdb::MsMs 313926 Specdb::MsMs 359527 Specdb::MsMs 359528 Specdb::MsMs 359529 Specdb::MsMs 2792777 Specdb::MsMs 2792778 Specdb::MsMs 2792779 Specdb::MsMs 2916068 Specdb::MsMs 2916069 Specdb::MsMs 2916070 Specdb::NmrOneD 2011 Specdb::NmrOneD 54802 Specdb::NmrOneD 54803 Specdb::NmrOneD 54804 Specdb::NmrOneD 54805 Specdb::NmrOneD 54806 Specdb::NmrOneD 54807 Specdb::NmrOneD 54808 Specdb::NmrOneD 54809 Specdb::NmrOneD 54810 Specdb::NmrOneD 54811 Specdb::NmrOneD 54812 Specdb::NmrOneD 54813 Specdb::NmrOneD 54814 Specdb::NmrOneD 54815 Specdb::NmrOneD 54816 Specdb::NmrOneD 54817 Specdb::NmrOneD 54818 Specdb::NmrOneD 54819 Specdb::NmrOneD 54820 Specdb::NmrOneD 54821 FDB023571 4932421 6427003 73829 Bryant, P. M.; Moore, R. H.; Pimlott, P. J.; Young, G. T. Amino acids and peptides. XIV. Further studies on the synthesis of aspartylpeptides. Journal of the Chemical Society (1959), 3868-73.