1.0 2020-04-06 12:22:20 UTC 2025-11-19 03:11:12 UTC FDB112111 Tyrosyl-Histidine C15H18N4O4 318.3278 318.132805084 2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-5-yl)propanoic acid 2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(3H-imidazol-4-yl)propanoic acid NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN=CN1)C(O)=O InChI=1S/C15H18N4O4/c16-12(5-9-1-3-11(20)4-2-9)14(21)19-13(15(22)23)6-10-7-17-8-18-10/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23) ZQOOYCZQENFIMC-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. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amino fatty acids Amphetamines and derivatives Aralkylamines Carbonyl compounds Carboxylic acids Fatty amides Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Secondary carboxylic acid amides Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amino fatty acid Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Secondary carboxylic acid amide Tyrosine or derivatives logp -1.65 ALOGPS logs -2.46 ALOGPS solubility 1.11e+00 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 3.33 ChemAxon pka_strongest_basic 8.04 ChemAxon iupac 2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-5-yl)propanoic acid ChemAxon average_mass 318.3278 ChemAxon mono_mass 318.132805084 ChemAxon smiles NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CN=CN1)C(O)=O ChemAxon formula C15H18N4O4 ChemAxon inchi InChI=1S/C15H18N4O4/c16-12(5-9-1-3-11(20)4-2-9)14(21)19-13(15(22)23)6-10-7-17-8-18-10/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23) ChemAxon inchikey ZQOOYCZQENFIMC-UHFFFAOYSA-N ChemAxon polar_surface_area 141.33 ChemAxon refractivity 81.96 ChemAxon polarizability 31.8 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 301681 Specdb::MsMs 301682 Specdb::MsMs 301683 Specdb::MsMs 344230 Specdb::MsMs 344231 Specdb::MsMs 344232 Specdb::MsMs 2792339 Specdb::MsMs 2792340 Specdb::MsMs 2792341 Specdb::MsMs 2917328 Specdb::MsMs 2917329 Specdb::MsMs 2917330 Specdb::CMs 16090 Specdb::CMs 41138 Specdb::CMs 146131 Specdb::NmrOneD 14942 Specdb::NmrOneD 14943 Specdb::NmrOneD 14944 Specdb::NmrOneD 14945 Specdb::NmrOneD 14946 Specdb::NmrOneD 14947 Specdb::NmrOneD 14948 Specdb::NmrOneD 14949 Specdb::NmrOneD 14950 Specdb::NmrOneD 14951 Specdb::NmrOneD 14952 Specdb::NmrOneD 14953 Specdb::NmrOneD 14954 Specdb::NmrOneD 14955 Specdb::NmrOneD 14956 Specdb::NmrOneD 14957 Specdb::NmrOneD 14958 Specdb::NmrOneD 14959 Specdb::NmrOneD 14960 Specdb::NmrOneD 14961 HMDB0029107 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823