1.0 2020-03-03 19:40:47 UTC 2020-04-22 15:57:05 UTC BMDB0064100 BMDB64100 Tryptophyl-Lysine L-Tryptophyl-L-lysine TRP-Lys Tryptophan lysine dipeptide Tryptophan-lysine dipeptide Tryptophyllysine W-K Dipeptide WK Dipeptide 6-Amino-2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}hexanoate C17H24N4O3 332.3975 332.184840654 6-amino-2-[2-amino-3-(1H-indol-3-yl)propanamido]hexanoic acid 6-amino-2-[2-amino-3-(1H-indol-3-yl)propanamido]hexanoic acid NCCCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O InChI=1S/C17H24N4O3/c18-8-4-3-7-15(17(23)24)21-16(22)13(19)9-11-10-20-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,15,20H,3-4,7-9,18-19H2,(H,21,22)(H,23,24) DZHDVYLBNKMLMB-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 3-alkylindoles Alpha amino acid amides Amino acids Amino fatty acids Aralkylamines Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Fatty amides Heteroaromatic compounds Heterocyclic fatty acids Hydrocarbon derivatives Medium-chain fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Substituted pyrroles Tryptamines and derivatives 3-alkylindole Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amino fatty acid Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Fatty amide Heteroaromatic compound Heterocyclic fatty acid Hydrocarbon derivative Indole Indole or derivatives Medium-chain fatty acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Pyrrole Secondary carboxylic acid amide Substituted pyrrole Triptan Aromatic heteropolycyclic compounds logp -1.21 ALOGPS logs -2.97 ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 3.79 ChemAxon pka_strongest_basic 10.21 ChemAxon iupac 6-amino-2-[2-amino-3-(1H-indol-3-yl)propanamido]hexanoic acid ChemAxon average_mass 332.3975 ChemAxon mono_mass 332.184840654 ChemAxon smiles NCCCCC(NC(=O)C(N)CC1=CNC2=C1C=CC=C2)C(O)=O ChemAxon formula C17H24N4O3 ChemAxon inchi InChI=1S/C17H24N4O3/c18-8-4-3-7-15(17(23)24)21-16(22)13(19)9-11-10-20-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,15,20H,3-4,7-9,18-19H2,(H,21,22)(H,23,24) ChemAxon inchikey DZHDVYLBNKMLMB-UHFFFAOYSA-N ChemAxon polar_surface_area 134.23 ChemAxon refractivity 90.81 ChemAxon polarizability 35.57 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 21945 Specdb::CMs 41120 Specdb::CMs 134294 Specdb::CMs 142028 Specdb::MsMs 314758 Specdb::MsMs 314759 Specdb::MsMs 314760 Specdb::MsMs 360568 Specdb::MsMs 360569 Specdb::MsMs 360570 Specdb::MsMs 2291262 Specdb::MsMs 2291263 Specdb::MsMs 2291264 Specdb::MsMs 2643513 Specdb::MsMs 2643514 Specdb::MsMs 2643515 Specdb::NmrOneD 14822 Specdb::NmrOneD 14823 Specdb::NmrOneD 14824 Specdb::NmrOneD 14825 Specdb::NmrOneD 14826 Specdb::NmrOneD 14827 Specdb::NmrOneD 14828 Specdb::NmrOneD 14829 Specdb::NmrOneD 14830 Specdb::NmrOneD 14831 Specdb::NmrOneD 14832 Specdb::NmrOneD 14833 Specdb::NmrOneD 14834 Specdb::NmrOneD 14835 Specdb::NmrOneD 14836 Specdb::NmrOneD 14837 Specdb::NmrOneD 14838 Specdb::NmrOneD 14839 Specdb::NmrOneD 14840 Specdb::NmrOneD 14841 FDB112092 18799209 13747764