1.0 2011-09-21 01:32:16 UTC 2015-07-21 06:59:17 UTC FDB027940 L-beta-Aspartyl-L-leucine A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB] b-Asp-Leu beta-Asp-Leu beta-Aspartylleucine C10H18N2O5 246.2603 246.121571696 2-(3-amino-3-carboxypropanamido)-4-methylpentanoic acid 2-(3-amino-3-carboxypropanamido)-4-methylpentanoic acid CC(C)CC(NC(=O)CC(N)C(O)=O)C(O)=O InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17) IYJILWQAFPUBHP-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 Aliphatic acyclic compounds Alpha amino acids Amino acids Asparagine and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Leucine and derivatives Methyl-branched fatty acids Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Asparagine or derivatives Branched fatty acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Hybrid peptide Hydrocarbon derivative Leucine or derivatives Methyl-branched fatty acid 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 Secondary carboxylic acid amide Solid logp -2.80 ALOGPS logs -1.61 ALOGPS solubility 5.98e+00 g/l ALOGPS logp -2.8 ChemAxon pka_strongest_acidic 2.09 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac 2-(3-amino-3-carboxypropanamido)-4-methylpentanoic acid ChemAxon average_mass 246.2603 ChemAxon mono_mass 246.121571696 ChemAxon smiles CC(C)CC(NC(=O)CC(N)C(O)=O)C(O)=O ChemAxon formula C10H18N2O5 ChemAxon inchi InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17) ChemAxon inchikey IYJILWQAFPUBHP-UHFFFAOYSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 57.5 ChemAxon polarizability 24.52 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14285 Specdb::CMs 39576 Specdb::CMs 132622 Specdb::CMs 140356 Specdb::NmrOneD 92992 Specdb::NmrOneD 92993 Specdb::NmrOneD 92994 Specdb::NmrOneD 92995 Specdb::NmrOneD 92996 Specdb::NmrOneD 92997 Specdb::NmrOneD 92998 Specdb::NmrOneD 92999 Specdb::NmrOneD 93000 Specdb::NmrOneD 93001 Specdb::NmrOneD 93002 Specdb::NmrOneD 93003 Specdb::NmrOneD 93004 Specdb::NmrOneD 93005 Specdb::NmrOneD 93006 Specdb::NmrOneD 93007 Specdb::NmrOneD 93008 Specdb::NmrOneD 93009 Specdb::NmrOneD 93010 Specdb::NmrOneD 93011 Specdb::MsMs 297535 Specdb::MsMs 297536 Specdb::MsMs 297537 Specdb::MsMs 339094 Specdb::MsMs 339095 Specdb::MsMs 339096 Specdb::MsMs 2777762 Specdb::MsMs 2777763 Specdb::MsMs 2777764 Specdb::MsMs 2901081 Specdb::MsMs 2901082 Specdb::MsMs 2901083 HMDB11166 #<Reference:0x000055ce33518ce8> 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