1.0 2020-04-06 11:24:41 UTC 2020-04-06 23:43:21 UTC FDB111778 Arginyltyrosine C15H23N5O4 337.38 337.175004241 (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C15H23N5O4/c16-11(2-1-7-19-15(17)18)13(22)20-12(14(23)24)8-9-3-5-10(21)6-4-9/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)/t11-,12-/m0/s1 XTWSWDJMIKUJDQ-RYUDHWBXSA-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 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amphetamines and derivatives Carbonyl compounds Carboximidamides Carboxylic acids Guanidines 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 Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoid 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 Carboximidamide Carboxylic acid Fatty acyl Fatty amide Guanidine 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 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Tyrosine or derivatives dipeptide logp -3.09 ALOGPS logs -3.30 ALOGPS solubility 1.68e-01 g/l ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 3.44 ChemAxon pka_strongest_basic 12.04 ChemAxon iupac (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid ChemAxon average_mass 337.38 ChemAxon mono_mass 337.175004241 ChemAxon smiles N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O ChemAxon formula C15H23N5O4 ChemAxon inchi InChI=1S/C15H23N5O4/c16-11(2-1-7-19-15(17)18)13(22)20-12(14(23)24)8-9-3-5-10(21)6-4-9/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)/t11-,12-/m0/s1 ChemAxon inchikey XTWSWDJMIKUJDQ-RYUDHWBXSA-N ChemAxon polar_surface_area 174.55 ChemAxon refractivity 97.82 ChemAxon polarizability 35.36 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 147525 Specdb::MsMs 1270474 Specdb::MsMs 1270475 Specdb::MsMs 1270476 Specdb::MsMs 1385482 Specdb::MsMs 1385483 Specdb::MsMs 1385484 Specdb::MsMs 3222955 Specdb::MsMs 3222956 Specdb::MsMs 3222957 Specdb::MsMs 3223837 Specdb::MsMs 3223838 Specdb::MsMs 3223839 Specdb::NmrOneD 154430 Specdb::NmrOneD 154431 Specdb::NmrOneD 154432 Specdb::NmrOneD 154433 Specdb::NmrOneD 154434 Specdb::NmrOneD 154435 Specdb::NmrOneD 154436 Specdb::NmrOneD 154437 Specdb::NmrOneD 154438 Specdb::NmrOneD 154439 Specdb::NmrOneD 154440 Specdb::NmrOneD 154441 Specdb::NmrOneD 154442 Specdb::NmrOneD 154443 Specdb::NmrOneD 154444 Specdb::NmrOneD 154445 Specdb::NmrOneD 154446 Specdb::NmrOneD 154447 Specdb::NmrOneD 154448 Specdb::NmrOneD 154449 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