1.0 2011-09-21 01:32:17 UTC 2015-07-21 06:59:17 UTC FDB027941 L-beta-Aspartyl-L-phenylalanine A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB] b-Asp-Phe beta-Asp-Phe beta-Aspartylphenylalanine C13H16N2O5 280.2765 280.105921632 2-amino-3-[(1-carboxy-2-phenylethyl)carbamoyl]propanoic acid 2-amino-3-[(1-carboxy-2-phenylethyl)carbamoyl]propanoic acid NC(CC(=O)NC(CC1=CC=CC=C1)C(O)=O)C(O)=O InChI=1S/C13H16N2O5/c14-9(12(17)18)7-11(16)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)(H,19,20) KDGAYJIGGCDHPH-UHFFFAOYSA-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 Aromatic homomonocyclic compounds Alpha amino acids Amino acids Amphetamines and derivatives Asparagine and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Secondary carboxylic acid amides 3-phenylpropanoic-acid Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aromatic homomonocyclic compound Asparagine or derivatives Benzenoid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acyl Fatty amide Hybrid peptide Hydrocarbon derivative Monocyclic benzene moiety 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 Phenylalanine or derivatives Primary aliphatic amine Primary amine Secondary carboxylic acid amide Solid logp -2.37 ALOGPS logs -2.39 ALOGPS solubility 1.13e+00 g/l ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 1.84 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac 2-amino-3-[(1-carboxy-2-phenylethyl)carbamoyl]propanoic acid ChemAxon average_mass 280.2765 ChemAxon mono_mass 280.105921632 ChemAxon smiles NC(CC(=O)NC(CC1=CC=CC=C1)C(O)=O)C(O)=O ChemAxon formula C13H16N2O5 ChemAxon inchi InChI=1S/C13H16N2O5/c14-9(12(17)18)7-11(16)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)(H,19,20) ChemAxon inchikey KDGAYJIGGCDHPH-UHFFFAOYSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 68.45 ChemAxon polarizability 27.53 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9565 Specdb::CMs 39577 Specdb::CMs 162780 Specdb::MsMs 287116 Specdb::MsMs 287117 Specdb::MsMs 287118 Specdb::MsMs 325882 Specdb::MsMs 325883 Specdb::MsMs 325884 Specdb::MsMs 2310890 Specdb::MsMs 2310891 Specdb::MsMs 2310892 Specdb::MsMs 2651282 Specdb::MsMs 2651283 Specdb::MsMs 2651284 Specdb::NmrOneD 93012 Specdb::NmrOneD 93013 Specdb::NmrOneD 93014 Specdb::NmrOneD 93015 Specdb::NmrOneD 93016 Specdb::NmrOneD 93017 Specdb::NmrOneD 93018 Specdb::NmrOneD 93019 Specdb::NmrOneD 93020 Specdb::NmrOneD 93021 Specdb::NmrOneD 93022 Specdb::NmrOneD 93023 Specdb::NmrOneD 93024 Specdb::NmrOneD 93025 Specdb::NmrOneD 93026 Specdb::NmrOneD 93027 Specdb::NmrOneD 93028 Specdb::NmrOneD 93029 Specdb::NmrOneD 93030 Specdb::NmrOneD 93031 HMDB11167 #<Reference:0x000055ce31644650> 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