1.0 2020-03-03 19:23:20 UTC 2020-04-22 15:55:12 UTC BMDB0063800 BMDB63800 Asparaginyl-Lysine Asn-lys Asparagine lysine dipeptide Asparagine-lysine dipeptide Asparaginyllysine L-Asparaginyl-L-lysine N-K Dipeptide NK Dipeptide 6-Amino-2-{[2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}hexanoate C10H20N4O4 260.2902 260.148455148 6-amino-2-(2-amino-3-carbamoylpropanamido)hexanoic acid 6-amino-2-(2-amino-3-carbamoylpropanamido)hexanoic acid NCCCCC(NC(=O)C(N)CC(N)=O)C(O)=O InChI=1S/C10H20N4O4/c11-4-2-1-3-7(10(17)18)14-9(16)6(12)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18) QJMCHPGWFZZRID-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 Asparagine and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Medium-chain fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Primary carboxylic acid amides 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 Asparagine or derivatives Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative 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 Primary carboxylic acid amide Secondary carboxylic acid amide Aliphatic acyclic compounds logp -3.51 ALOGPS logs -1.68 ALOGPS logp -5 ChemAxon pka_strongest_acidic 3.63 ChemAxon pka_strongest_basic 10.21 ChemAxon iupac 6-amino-2-(2-amino-3-carbamoylpropanamido)hexanoic acid ChemAxon average_mass 260.2902 ChemAxon mono_mass 260.148455148 ChemAxon smiles NCCCCC(NC(=O)C(N)CC(N)=O)C(O)=O ChemAxon formula C10H20N4O4 ChemAxon inchi InChI=1S/C10H20N4O4/c11-4-2-1-3-7(10(17)18)14-9(16)6(12)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18) ChemAxon inchikey QJMCHPGWFZZRID-UHFFFAOYSA-N ChemAxon polar_surface_area 161.53 ChemAxon refractivity 62.96 ChemAxon polarizability 26.76 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 5 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::MsMs 300220 Specdb::MsMs 300221 Specdb::MsMs 300222 Specdb::MsMs 342436 Specdb::MsMs 342437 Specdb::MsMs 342438 Specdb::MsMs 3223039 Specdb::MsMs 3223040 Specdb::MsMs 3223041 Specdb::MsMs 3223042 Specdb::MsMs 3223043 Specdb::MsMs 3223044 Specdb::NmrOneD 13422 Specdb::NmrOneD 13423 Specdb::NmrOneD 13424 Specdb::NmrOneD 13425 Specdb::NmrOneD 13426 Specdb::NmrOneD 13427 Specdb::NmrOneD 13428 Specdb::NmrOneD 13429 Specdb::NmrOneD 13430 Specdb::NmrOneD 13431 Specdb::NmrOneD 13432 Specdb::NmrOneD 13433 Specdb::NmrOneD 13434 Specdb::NmrOneD 13435 Specdb::NmrOneD 13436 Specdb::NmrOneD 13437 Specdb::NmrOneD 13438 Specdb::NmrOneD 13439 Specdb::NmrOneD 13440 Specdb::NmrOneD 13441 Specdb::CMs 15447 Specdb::CMs 40826 Specdb::CMs 135202 Specdb::CMs 142936 FDB111793 15494626 21451266 174429