1.0 2020-04-03 16:44:11 UTC 2020-04-03 16:44:12 UTC FDB098199 Glutaminylphenylalanine C14H19N3O4 293.323 293.137556104 (2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-phenylpropanoic acid (2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-phenylpropanoic acid [H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=O InChI=1S/C14H19N3O4/c15-10(6-7-12(16)18)13(19)17-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H2,16,18)(H,17,19)(H,20,21)/t10-,11-/m0/s1 VHLZDSUANXBJHW-QWRGUYRKSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds Alpha amino acid amides Amino acids Amphetamines and derivatives Carbonyl compounds Carboxylic acids Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Primary carboxylic acid amides Secondary carboxylic acid amides 3-phenylpropanoic-acid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary carboxylic acid amide logp -2.27 ALOGPS logs -3.16 ALOGPS solubility 2.03e-01 g/l ALOGPS logp -4.1 ChemAxon pka_strongest_acidic -0.61 ChemAxon pka_strongest_basic 12.84 ChemAxon iupac (2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-phenylpropanoic acid ChemAxon average_mass 293.323 ChemAxon mono_mass 293.137556104 ChemAxon smiles [H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=O ChemAxon formula C14H19N3O4 ChemAxon inchi InChI=1S/C14H19N3O4/c15-10(6-7-12(16)18)13(19)17-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H2,16,18)(H,17,19)(H,20,21)/t10-,11-/m0/s1 ChemAxon inchikey VHLZDSUANXBJHW-QWRGUYRKSA-N ChemAxon polar_surface_area 139.99 ChemAxon refractivity 86.48 ChemAxon polarizability 29.8 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 169366 Specdb::NmrOneD 155170 Specdb::NmrOneD 155171 Specdb::NmrOneD 155172 Specdb::NmrOneD 155173 Specdb::NmrOneD 155174 Specdb::NmrOneD 155175 Specdb::NmrOneD 155176 Specdb::NmrOneD 155177 Specdb::NmrOneD 155178 Specdb::NmrOneD 155179 Specdb::NmrOneD 155180 Specdb::NmrOneD 155181 Specdb::NmrOneD 155182 Specdb::NmrOneD 155183 Specdb::NmrOneD 155184 Specdb::NmrOneD 155185 Specdb::NmrOneD 155186 Specdb::NmrOneD 155187 Specdb::NmrOneD 155188 Specdb::NmrOneD 155189 Specdb::MsMs 1239472 Specdb::MsMs 1239473 Specdb::MsMs 1239474 Specdb::MsMs 1354897 Specdb::MsMs 1354898 Specdb::MsMs 1354899 Specdb::MsMs 3223447 Specdb::MsMs 3223448 Specdb::MsMs 3223449 Specdb::MsMs 3224515 Specdb::MsMs 3224516 Specdb::MsMs 3224517 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 Milk (Cow) Type 2 specific 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