1.0 2020-04-06 11:47:08 UTC 2020-04-06 23:43:22 UTC FDB111908 Histidylarginine C12H21N7O3 311.346 311.170587564 (2S)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanamido]-5-carbamimidamidopentanoic acid (2S)-2-[(2S)-2-amino-3-(3H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C12H21N7O3/c13-8(4-7-5-16-6-18-7)10(20)19-9(11(21)22)2-1-3-17-12(14)15/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17)/t8-,9-/m0/s1 NIKBMHGRNAPJFW-IUCAKERBSA-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 Aromatic heteromonocyclic compounds Alpha amino acid amides Amino acids Aralkylamines Azacyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Fatty amides Guanidines Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids Organic oxides Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Alpha peptide Alpha-amino acid amide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aralkylamine 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-l-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide logp -3.52 ALOGPS logs -3.17 ALOGPS solubility 2.11e-01 g/l ALOGPS logp -4.4 ChemAxon pka_strongest_acidic 3.4 ChemAxon pka_strongest_basic 12.03 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanamido]-5-carbamimidamidopentanoic acid ChemAxon average_mass 311.346 ChemAxon mono_mass 311.170587564 ChemAxon smiles N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O ChemAxon formula C12H21N7O3 ChemAxon inchi InChI=1S/C12H21N7O3/c13-8(4-7-5-16-6-18-7)10(20)19-9(11(21)22)2-1-3-17-12(14)15/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 NIKBMHGRNAPJFW-IUCAKERBSA-N ChemAxon polar_surface_area 183 ChemAxon refractivity 88.78 ChemAxon polarizability 31.77 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 133717 Specdb::CMs 141451 Specdb::MsMs 3052565 Specdb::MsMs 3052566 Specdb::MsMs 3052567 Specdb::MsMs 3114035 Specdb::MsMs 3114036 Specdb::MsMs 3114037 Specdb::NmrOneD 14002 Specdb::NmrOneD 14003 Specdb::NmrOneD 14004 Specdb::NmrOneD 14005 Specdb::NmrOneD 14006 Specdb::NmrOneD 14007 Specdb::NmrOneD 14008 Specdb::NmrOneD 14009 Specdb::NmrOneD 14010 Specdb::NmrOneD 14011 Specdb::NmrOneD 14012 Specdb::NmrOneD 14013 Specdb::NmrOneD 14014 Specdb::NmrOneD 14015 Specdb::NmrOneD 14016 Specdb::NmrOneD 14017 Specdb::NmrOneD 14018 Specdb::NmrOneD 14019 Specdb::NmrOneD 14020 Specdb::NmrOneD 14021 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