1.0 2020-04-06 11:20:54 UTC 2020-04-06 23:43:21 UTC FDB111756 Alanyltyrosine C12H16N2O4 252.27 252.111007003 (2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanoic acid (2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanoic acid C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1 ALZVPLKYDKJKQU-XVKPBYJWSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Peptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Amino acids Amphetamines and derivatives Carbonyl compounds Carboximidic acids Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Propargyl-type 1,3-dipolar organic compounds Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Tyrosine or derivatives dipeptide logp -2.15 ALOGPS logs -2.08 ALOGPS solubility 2.10e+00 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 3.48 ChemAxon pka_strongest_basic 8.36 ChemAxon iupac (2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanoic acid ChemAxon average_mass 252.27 ChemAxon mono_mass 252.111007003 ChemAxon smiles C[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O ChemAxon formula C12H16N2O4 ChemAxon inchi InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1 ChemAxon inchikey ALZVPLKYDKJKQU-XVKPBYJWSA-N ChemAxon polar_surface_area 112.65 ChemAxon refractivity 64.39 ChemAxon polarizability 25.02 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 156248 Specdb::NmrOneD 104678 Specdb::NmrOneD 104679 Specdb::NmrOneD 104680 Specdb::NmrOneD 104681 Specdb::NmrOneD 104682 Specdb::NmrOneD 104683 Specdb::NmrOneD 104684 Specdb::NmrOneD 104685 Specdb::NmrOneD 104686 Specdb::NmrOneD 104687 Specdb::NmrOneD 104688 Specdb::NmrOneD 104689 Specdb::NmrOneD 104690 Specdb::NmrOneD 104691 Specdb::NmrOneD 104692 Specdb::NmrOneD 104693 Specdb::NmrOneD 104694 Specdb::NmrOneD 104695 Specdb::NmrOneD 104696 Specdb::NmrOneD 104697 Specdb::MsMs 1298848 Specdb::MsMs 1298849 Specdb::MsMs 1298850 Specdb::MsMs 1413454 Specdb::MsMs 1413455 Specdb::MsMs 1413456 Specdb::MsMs 3222829 Specdb::MsMs 3222830 Specdb::MsMs 3222831 Specdb::MsMs 3222832 Specdb::MsMs 3222833 Specdb::MsMs 3222834 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