1.0 2016-09-30 23:18:14 UTC 2020-04-22 15:16:14 UTC BMDB0005770 BMDB05770 Tuftsin L-Threonyl-L-lysyl-L-prolyl-L-arginine Taftsin L-THR-L-Lys-L-pro-L-arg (2S)-2-({[(2S)-1-(6-amino-2-{[(2S,3R)-2-amino-1,3-dihydroxybutylidene]amino}hexanoyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-5-carbamimidamidopentanoate Tuftsin C21H40N8O6 500.5923 500.307081052 (2S)-2-{[(2S)-1-{6-amino-2-[(2S,3R)-2-amino-3-hydroxybutanamido]hexanoyl}pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid (2S)-2-{[(2S)-1-{6-amino-2-[(2S,3R)-2-amino-3-hydroxybutanamido]hexanoyl}pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid 112592-90-2 C[C@@H](O)[C@H](N)C(=O)NC(CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13?,14+,15+,16+/m1/s1 IESDGNYHXIOKRW-NNFXCFJSSA-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 Guanidines Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids 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 alcohols Secondary carboxylic acid amides Tertiary carboxylic acid amides Alcohol 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 Hydroxy fatty acid 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 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 alcohol Secondary carboxylic acid amide Tertiary carboxylic acid amide Aliphatic heteromonocyclic compounds Solid logp -3.31 ALOGPS logs -3.31 ALOGPS logp -5.3 ChemAxon pka_strongest_acidic 3.44 ChemAxon pka_strongest_basic 11.9 ChemAxon iupac (2S)-2-{[(2S)-1-{6-amino-2-[(2S,3R)-2-amino-3-hydroxybutanamido]hexanoyl}pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanoic acid ChemAxon average_mass 500.5923 ChemAxon mono_mass 500.307081052 ChemAxon smiles C[C@@H](O)[C@H](N)C(=O)NC(CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O ChemAxon formula C21H40N8O6 ChemAxon inchi InChI=1S/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16,30H,2-11,22-23H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H4,24,25,26)/t12-,13?,14+,15+,16+/m1/s1 ChemAxon inchikey IESDGNYHXIOKRW-NNFXCFJSSA-N ChemAxon polar_surface_area 249.98 ChemAxon refractivity 136.78 ChemAxon polarizability 52.58 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 11 ChemAxon donor_count 9 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 26061 Specdb::CMs 38874 Specdb::MsMs 323731 Specdb::MsMs 323732 Specdb::MsMs 323733 Specdb::MsMs 371965 Specdb::MsMs 371966 Specdb::MsMs 371967 Specdb::MsMs 2778736 Specdb::MsMs 2778737 Specdb::MsMs 2778738 Specdb::MsMs 2904024 Specdb::MsMs 2904025 Specdb::MsMs 2904026 Specdb::NmrOneD 55022 Specdb::NmrOneD 55023 Specdb::NmrOneD 55024 Specdb::NmrOneD 55025 Specdb::NmrOneD 55026 Specdb::NmrOneD 55027 Specdb::NmrOneD 55028 Specdb::NmrOneD 55029 Specdb::NmrOneD 55030 Specdb::NmrOneD 55031 Specdb::NmrOneD 55032 Specdb::NmrOneD 55033 Specdb::NmrOneD 55034 Specdb::NmrOneD 55035 Specdb::NmrOneD 55036 Specdb::NmrOneD 55037 Specdb::NmrOneD 55038 Specdb::NmrOneD 55039 Specdb::NmrOneD 55040 Specdb::NmrOneD 55041 FDB023760 53477795 35015985 88947 Tuftsin Trudelle Y; Brack A; Delmas A; Pedoussaut S; Rivaille P Synthesis of a new carrier for immunization: polytuftsin. Two examples of its use with peptides selected in the hepatitis B surface antigen. International journal of peptide and protein research (1987), 30(1), 54-60.