1.0 2020-04-06 11:22:58 UTC 2020-04-06 23:43:21 UTC FDB111768 Arginylhistidine C12H21N7O3 311.346 311.170587564 (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-5-yl)propanoic acid (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(3H-imidazol-4-yl)propanoic acid N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O InChI=1S/C12H21N7O3/c13-8(2-1-3-17-12(14)15)10(20)19-9(11(21)22)4-7-5-16-6-18-7/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17)/t8-,9-/m0/s1 BNODVYXZAAXSHW-IUCAKERBSA-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 heteromonocyclic compounds Alpha amino acid amides Amino acids Azacyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Guanidines Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Fatty acyl Fatty amide Guanidine Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative Monocarboxylic acid or derivatives 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 Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide logp -3.51 ALOGPS logs -3.16 ALOGPS solubility 2.18e-01 g/l ALOGPS logp -4.5 ChemAxon pka_strongest_acidic 3.36 ChemAxon pka_strongest_basic 11.98 ChemAxon iupac (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-5-yl)propanoic acid ChemAxon average_mass 311.346 ChemAxon mono_mass 311.170587564 ChemAxon smiles N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O ChemAxon formula C12H21N7O3 ChemAxon inchi InChI=1S/C12H21N7O3/c13-8(2-1-3-17-12(14)15)10(20)19-9(11(21)22)4-7-5-16-6-18-7/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17)/t8-,9-/m0/s1 ChemAxon inchikey BNODVYXZAAXSHW-IUCAKERBSA-N ChemAxon polar_surface_area 183 ChemAxon refractivity 88.78 ChemAxon polarizability 31.8 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 153037 Specdb::MsMs 1235959 Specdb::MsMs 1235960 Specdb::MsMs 1235961 Specdb::MsMs 1351438 Specdb::MsMs 1351439 Specdb::MsMs 1351440 Specdb::MsMs 3222898 Specdb::MsMs 3222899 Specdb::MsMs 3222900 Specdb::MsMs 3222901 Specdb::MsMs 3222902 Specdb::MsMs 3222903 Specdb::NmrOneD 104838 Specdb::NmrOneD 104839 Specdb::NmrOneD 104840 Specdb::NmrOneD 104841 Specdb::NmrOneD 104842 Specdb::NmrOneD 104843 Specdb::NmrOneD 104844 Specdb::NmrOneD 104845 Specdb::NmrOneD 104846 Specdb::NmrOneD 104847 Specdb::NmrOneD 104848 Specdb::NmrOneD 104849 Specdb::NmrOneD 104850 Specdb::NmrOneD 104851 Specdb::NmrOneD 104852 Specdb::NmrOneD 104853 Specdb::NmrOneD 104854 Specdb::NmrOneD 104855 Specdb::NmrOneD 104856 Specdb::NmrOneD 104857 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