1.0 2020-04-03 16:47:54 UTC 2025-11-19 03:08:20 UTC FDB098229 Tryptophyl-Arginine C9H18N2O4 218.2502 218.126657074 2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-5-carbamimidamidopentanoic acid 2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-5-carbamimidamidopentanoic acid CC(C)C(N=C(O)C(N)C(C)O)C(O)=O InChI=1S/C9H18N2O4/c1-4(2)7(9(14)15)11-8(13)6(10)5(3)12/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15) CKHWEVXPLJBEOZ-UHFFFAOYSA-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 heteropolycyclic compounds 3-alkylindoles Alpha amino acid amides Amino acids Aralkylamines Azacyclic compounds Benzenoids Carbonyl compounds Carboximidamides Carboxylic acids Fatty amides Guanidines Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Substituted pyrroles Tryptamines and derivatives 3-alkylindole Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Fatty acyl Fatty amide Guanidine Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives 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 Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Pyrrole Secondary carboxylic acid amide Substituted pyrrole Triptan logp -1.93 ALOGPS logs -3.49 ALOGPS solubility 1.18e-01 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 3.35 ChemAxon pka_strongest_basic 12.1 ChemAxon iupac 2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-5-carbamimidamidopentanoic acid ChemAxon average_mass 218.2502 ChemAxon mono_mass 218.126657074 ChemAxon smiles CC(C)C(N=C(O)C(N)C(C)O)C(O)=O ChemAxon formula C9H18N2O4 ChemAxon inchi InChI=1S/C9H18N2O4/c1-4(2)7(9(14)15)11-8(13)6(10)5(3)12/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15) ChemAxon inchikey CKHWEVXPLJBEOZ-UHFFFAOYSA-N ChemAxon polar_surface_area 173.6 ChemAxon refractivity 107.45 ChemAxon polarizability 38.12 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20752 Specdb::CMs 41110 Specdb::CMs 134442 Specdb::CMs 142176 Specdb::MsMs 312235 Specdb::MsMs 312236 Specdb::MsMs 312237 Specdb::MsMs 357436 Specdb::MsMs 357437 Specdb::MsMs 357438 Specdb::MsMs 2310027 Specdb::MsMs 2310028 Specdb::MsMs 2310029 Specdb::MsMs 2655563 Specdb::MsMs 2655564 Specdb::MsMs 2655565 Specdb::NmrOneD 156710 Specdb::NmrOneD 156711 Specdb::NmrOneD 156712 Specdb::NmrOneD 156713 Specdb::NmrOneD 156714 Specdb::NmrOneD 156715 Specdb::NmrOneD 156716 Specdb::NmrOneD 156717 Specdb::NmrOneD 156718 Specdb::NmrOneD 156719 Specdb::NmrOneD 156720 Specdb::NmrOneD 156721 Specdb::NmrOneD 156722 Specdb::NmrOneD 156723 Specdb::NmrOneD 156724 Specdb::NmrOneD 156725 Specdb::NmrOneD 156726 Specdb::NmrOneD 156727 Specdb::NmrOneD 156728 Specdb::NmrOneD 156729 HMDB0029077 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