1.0 2020-04-06 12:12:48 UTC 2020-04-06 23:43:22 UTC FDB112056 Serylthreonine C7H14N2O5 206.198 206.090271559 (2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanoic acid (2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanoic acid C[C@@H](O)[C@H](NC(=O)[C@@H](N)CO)C(O)=O InChI=1S/C7H14N2O5/c1-3(11)5(7(13)14)9-6(12)4(8)2-10/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)/t3-,4+,5+/m1/s1 LDEBVRIURYMKQS-WISUUJSJSA-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 Aliphatic acyclic compounds Amino acids Beta hydroxy acids and derivatives Carbonyl compounds Carboximidic acids Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Primary alcohols Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Beta-hydroxy acid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Fatty acid Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives 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 alcohol Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary alcohol Short-chain hydroxy acid logp -3.11 ALOGPS logs -0.42 ALOGPS solubility 7.87e+01 g/l ALOGPS logp -5.1 ChemAxon pka_strongest_acidic 3.4 ChemAxon pka_strongest_basic 7.85 ChemAxon iupac (2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanoic acid ChemAxon average_mass 206.198 ChemAxon mono_mass 206.090271559 ChemAxon smiles C[C@@H](O)[C@H](NC(=O)[C@@H](N)CO)C(O)=O ChemAxon formula C7H14N2O5 ChemAxon inchi InChI=1S/C7H14N2O5/c1-3(11)5(7(13)14)9-6(12)4(8)2-10/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)/t3-,4+,5+/m1/s1 ChemAxon inchikey LDEBVRIURYMKQS-WISUUJSJSA-N ChemAxon polar_surface_area 132.88 ChemAxon refractivity 45.3 ChemAxon polarizability 19.22 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 135151 Specdb::CMs 142885 Specdb::MsMs 1273603 Specdb::MsMs 1273604 Specdb::MsMs 1273605 Specdb::MsMs 1388584 Specdb::MsMs 1388585 Specdb::MsMs 1388586 Specdb::MsMs 2665285 Specdb::MsMs 2665286 Specdb::MsMs 2665287 Specdb::MsMs 3016929 Specdb::MsMs 3016930 Specdb::MsMs 3016931 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