1.0 2011-09-21 00:31:45 UTC 2015-07-21 06:57:46 UTC FDB023570 Aspartylysine Aspartyllysine is an unusual urinary dipeptide. This compound was observed in children in various disease states, but without any correlation with a particular symptom. (PMID 618685) [HMDB] Asp-LYS Aspartyllysine Beta-aspartyl-epsilon-lysine e-(b-Aspartyl)lysine e-(b-L-Aspartyl)-L-lysine epsilon-(b-Aspartyl)lysine epsilon-(b-L-Aspartyl)-L-lysine N-epsilon-(beta-aspartyl)lysine N6-L-beta-aspartyl-L-Lysine Ne-(b-Aspartyl)-L-lysine C10H19N3O5 261.275 261.132470733 (2S)-6-amino-2-[(3S)-3-amino-3-carboxypropanamido]hexanoic acid (2S)-6-amino-2-[(3S)-3-amino-3-carboxypropanamido]hexanoic acid 5853-83-8 NCCCC[C@H](NC(=O)C[C@H](N)C(O)=O)C(O)=O InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-8(14)5-6(12)9(15)16/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6-,7-/m0/s1 QGNYWQOMJSTUQZ-BQBZGAKWSA-N belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Hybrid peptides Organic compounds Organic acids and derivatives Peptidomimetics Hybrid peptides Aliphatic acyclic compounds Amino acids Amino fatty acids Asparagine and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives L-alpha-amino acids 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 Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Amino fatty acid Asparagine or derivatives Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Hybrid peptide Hydrocarbon derivative L-alpha-amino acid 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 Solid logp -4.07 ALOGPS logs -1.63 ALOGPS solubility 6.12e+00 g/l ALOGPS logp -6.4 ChemAxon pka_strongest_acidic 1.88 ChemAxon pka_strongest_basic 10.21 ChemAxon iupac (2S)-6-amino-2-[(3S)-3-amino-3-carboxypropanamido]hexanoic acid ChemAxon average_mass 261.275 ChemAxon mono_mass 261.132470733 ChemAxon smiles NCCCC[C@H](NC(=O)C[C@H](N)C(O)=O)C(O)=O ChemAxon formula C10H19N3O5 ChemAxon inchi InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-8(14)5-6(12)9(15)16/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6-,7-/m0/s1 ChemAxon inchikey QGNYWQOMJSTUQZ-BQBZGAKWSA-N ChemAxon polar_surface_area 155.74 ChemAxon refractivity 61.14 ChemAxon polarizability 26.22 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25702 Specdb::CMs 38826 Specdb::MsMs 322951 Specdb::MsMs 322952 Specdb::MsMs 322953 Specdb::MsMs 370987 Specdb::MsMs 370988 Specdb::MsMs 370989 HMDB04985 #<Reference:0x000055ce327a6d80>