1.0 2016-09-30 23:18:17 UTC 2020-04-22 15:16:15 UTC BMDB0005772 BMDB05772 Postin Des(1-4)-cystatin C N-Terminal tetrapeptide cystatin c Lys-pro-pro-arg Cystatin C, N-terminal tetrapeptide Cystatin C, des(1-4) De-(1-4)-cystatin C (2S)-2-{[(2S)-6-amino-1-hydroxy-2-({hydroxy[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]methylidene}amino)hexylidene]amino}-5-carbamimidamidopentanoate Postin 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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides 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 Aliphatic heteromonocyclic compounds Solid logp -3.03 ALOGPS logs -3.32 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 number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon 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 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 FDB023762 128439 113851 176180 C00015029