1.0 2011-09-21 00:34:20 UTC 2015-07-21 06:57:51 UTC FDB023762 Postin Postin (Lys-Pro-Pro-Arg) is the N-terminal tetrapeptide of cystatin C and an antagonist of tuftsin. [HMDB] des(1-4)-Cystatin C N-terminal tetrapeptide Cystatin c C22H40N8O5 496.6036 496.31216643 (2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-5-carbamimidamidopentanoic acid (2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-5-carbamimidamidopentanoic acid 103745-46-6 NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C22H40N8O5/c23-10-2-1-6-14(18(31)29-16(21(34)35)8-4-12-27-22(24)25)28-19(32)17-9-5-13-30(17)20(33)15-7-3-11-26-15/h14-17,26H,1-13,23H2,(H,28,32)(H,29,31)(H,34,35)(H4,24,25,27)/t14-,15-,16-,17-/m0/s1 WUUNPBLZLWVARQ-QAETUUGQSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Oligopeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Alpha amino acid amides Amino acids Azacyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Dialkylamines Guanidines Heterocyclic fatty acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Proline and derivatives Propargyl-type 1,3-dipolar organic compounds Pyrrolidinecarboxamides Secondary carboxylic acid amides Tertiary carboxylic acid amides Aliphatic heteromonocyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Azacycle Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Fatty acid Fatty acyl Fatty amide Guanidine Heterocyclic fatty acid Hydrocarbon 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 N-acylpyrrolidine N-substituted-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 Proline or derivatives Propargyl-type 1,3-dipolar organic compound Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary aliphatic amine Secondary amine Secondary carboxylic acid amide Tertiary carboxylic acid amide Solid logp -3.03 ALOGPS logs -3.32 ALOGPS solubility 2.39e-01 g/l ALOGPS logp -4.2 ChemAxon pka_strongest_acidic 3.41 ChemAxon pka_strongest_basic 11.94 ChemAxon iupac (2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]-5-carbamimidamidopentanoic acid ChemAxon average_mass 496.6036 ChemAxon mono_mass 496.31216643 ChemAxon smiles NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O ChemAxon formula C22H40N8O5 ChemAxon inchi InChI=1S/C22H40N8O5/c23-10-2-1-6-14(18(31)29-16(21(34)35)8-4-12-27-22(24)25)28-19(32)17-9-5-13-30(17)20(33)15-7-3-11-26-15/h14-17,26H,1-13,23H2,(H,28,32)(H,29,31)(H,34,35)(H4,24,25,27)/t14-,15-,16-,17-/m0/s1 ChemAxon inchikey WUUNPBLZLWVARQ-QAETUUGQSA-N ChemAxon polar_surface_area 215.76 ChemAxon refractivity 138.38 ChemAxon polarizability 52.65 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 150000 Specdb::NmrOneD 150001 Specdb::NmrOneD 150002 Specdb::NmrOneD 150003 Specdb::NmrOneD 150004 Specdb::NmrOneD 150005 Specdb::NmrOneD 150006 Specdb::NmrOneD 150007 Specdb::NmrOneD 150008 Specdb::NmrOneD 150009 Specdb::NmrOneD 150010 Specdb::NmrOneD 150011 Specdb::NmrOneD 150012 Specdb::NmrOneD 150013 Specdb::NmrOneD 150014 Specdb::NmrOneD 150015 Specdb::NmrOneD 150016 Specdb::NmrOneD 150017 Specdb::NmrOneD 150018 Specdb::NmrOneD 150019 Specdb::CMs 20011 Specdb::CMs 38876 Specdb::CMs 172008 Specdb::MsMs 310552 Specdb::MsMs 310553 Specdb::MsMs 310554 Specdb::MsMs 355306 Specdb::MsMs 355307 Specdb::MsMs 355308 Specdb::MsMs 2712812 Specdb::MsMs 2712813 Specdb::MsMs 2712814 Specdb::MsMs 2965632 Specdb::MsMs 2965633 Specdb::MsMs 2965634 HMDB05772 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