1.0 2020-04-06 11:18:39 UTC 2020-04-06 23:43:21 UTC FDB111743 Alanylaspartic acid C7H12N2O5 204.182 204.074621494 (2S)-2-[(2S)-2-aminopropanamido]butanedioic acid (2S)-2-[(2S)-2-aminopropanamido]butanedioic acid C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O InChI=1S/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1 XAEWTDMGFGHWFK-IMJSIDKUSA-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 Amino acids Aspartic acid and derivatives Carbonyl compounds Carboximidic acids Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aspartic acid or derivatives Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acid Hybrid peptide Hydrocarbon derivative 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 Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound dipeptide logp -3.43 ALOGPS logs -1.05 ALOGPS solubility 1.80e+01 g/l ALOGPS logp -4.1 ChemAxon pka_strongest_acidic 3.28 ChemAxon pka_strongest_basic 8.39 ChemAxon iupac (2S)-2-[(2S)-2-aminopropanamido]butanedioic acid ChemAxon average_mass 204.182 ChemAxon mono_mass 204.074621494 ChemAxon smiles C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O ChemAxon formula C7H12N2O5 ChemAxon inchi InChI=1S/C7H12N2O5/c1-3(8)6(12)9-4(7(13)14)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1 ChemAxon inchikey XAEWTDMGFGHWFK-IMJSIDKUSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 43.83 ChemAxon polarizability 18.31 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 132750 Specdb::CMs 140484 Specdb::NmrOneD 13202 Specdb::NmrOneD 13203 Specdb::NmrOneD 13204 Specdb::NmrOneD 13205 Specdb::NmrOneD 13206 Specdb::NmrOneD 13207 Specdb::NmrOneD 13208 Specdb::NmrOneD 13209 Specdb::NmrOneD 13210 Specdb::NmrOneD 13211 Specdb::NmrOneD 13212 Specdb::NmrOneD 13213 Specdb::NmrOneD 13214 Specdb::NmrOneD 13215 Specdb::NmrOneD 13216 Specdb::NmrOneD 13217 Specdb::NmrOneD 13218 Specdb::NmrOneD 13219 Specdb::NmrOneD 13220 Specdb::NmrOneD 13221 Specdb::MsMs 1294285 Specdb::MsMs 1294286 Specdb::MsMs 1294287 Specdb::MsMs 1408945 Specdb::MsMs 1408946 Specdb::MsMs 1408947 Specdb::MsMs 3222751 Specdb::MsMs 3222752 Specdb::MsMs 3222753 Specdb::MsMs 3222754 Specdb::MsMs 3222755 Specdb::MsMs 3222756 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 Columba 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 Animal Capra aegagrus hircus 9925 Domestic pig Type 1 Animal Sus scrofa domesticus 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus cuniculus 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 hemionus 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