1.0 2020-04-06 11:24:31 UTC 2020-04-06 23:43:21 UTC FDB111777 Arginyltryptophan C17H24N6O3 360.418 360.190988657 (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O InChI=1S/C17H24N6O3/c18-12(5-3-7-21-17(19)20)15(24)23-14(16(25)26)8-10-9-22-13-6-2-1-4-11(10)13/h1-2,4,6,9,12,14,22H,3,5,7-8,18H2,(H,23,24)(H,25,26)(H4,19,20,21)/t12-,14-/m0/s1 QADCERNTBWTXFV-JSGCOSHPSA-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 Azacyclic compounds Benzenoids Carbonyl compounds Carboximidamides Carboxylic acids Guanidines Heteroaromatic compounds Hydrocarbon derivatives Indolyl 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 Substituted pyrroles 3-alkylindole Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives 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 Indolyl 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 Pyrrole Secondary carboxylic acid amide Substituted pyrrole dipeptide logp -2.06 ALOGPS logs -3.66 ALOGPS solubility 7.96e-02 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 3.76 ChemAxon pka_strongest_basic 12.04 ChemAxon iupac (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanoic acid ChemAxon average_mass 360.418 ChemAxon mono_mass 360.190988657 ChemAxon smiles N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O ChemAxon formula C17H24N6O3 ChemAxon inchi InChI=1S/C17H24N6O3/c18-12(5-3-7-21-17(19)20)15(24)23-14(16(25)26)8-10-9-22-13-6-2-1-4-11(10)13/h1-2,4,6,9,12,14,22H,3,5,7-8,18H2,(H,23,24)(H,25,26)(H4,19,20,21)/t12-,14-/m0/s1 ChemAxon inchikey QADCERNTBWTXFV-JSGCOSHPSA-N ChemAxon polar_surface_area 170.11 ChemAxon refractivity 106.93 ChemAxon polarizability 37.39 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 7 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 173886 Specdb::MsMs 1241062 Specdb::MsMs 1241063 Specdb::MsMs 1241064 Specdb::MsMs 1356478 Specdb::MsMs 1356479 Specdb::MsMs 1356480 Specdb::MsMs 3222949 Specdb::MsMs 3222950 Specdb::MsMs 3222951 Specdb::MsMs 3222952 Specdb::MsMs 3222953 Specdb::MsMs 3222954 Specdb::NmrOneD 13342 Specdb::NmrOneD 13343 Specdb::NmrOneD 13344 Specdb::NmrOneD 13345 Specdb::NmrOneD 13346 Specdb::NmrOneD 13347 Specdb::NmrOneD 13348 Specdb::NmrOneD 13349 Specdb::NmrOneD 13350 Specdb::NmrOneD 13351 Specdb::NmrOneD 13352 Specdb::NmrOneD 13353 Specdb::NmrOneD 13354 Specdb::NmrOneD 13355 Specdb::NmrOneD 13356 Specdb::NmrOneD 13357 Specdb::NmrOneD 13358 Specdb::NmrOneD 13359 Specdb::NmrOneD 13360 Specdb::NmrOneD 13361 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