1.0 2010-04-08 22:14:05 UTC 2019-11-26 03:16:59 UTC FDB019017 (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine Constituent of the seeds of Vigna radiata (mung bean). (gamma-Glutamyl-gamma-glutamyl)-S-methylcysteine is found in pulses. (g-Glutamyl-g-glutamyl)-S-methylcysteine C14H23N3O8S 393.413 393.120585417 (2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-4-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid (2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-4-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid 102148-93-6 CSC[C@H](NC(=O)CC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(O)=O)C(O)=O InChI=1S/C14H23N3O8S/c1-26-6-9(14(24)25)17-11(19)5-3-8(13(22)23)16-10(18)4-2-7(15)12(20)21/h7-9H,2-6,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)/t7-,8-,9+/m1/s1 GKIHDWYFYBDIIK-HLTSFMKQSA-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 acyclic compounds Amino acids Carbonyl compounds Carboxylic acids Cysteine and derivatives D-alpha-amino acids Dialkylthioethers Gamma-glutamyl amino acids Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Sulfenyl compounds Tricarboxylic acids and derivatives Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Cysteine or derivatives D-alpha-amino acid Dialkylthioether Fatty acyl Fatty amide Gamma-glutamyl alpha-amino acid Glutamine or derivatives Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Sulfenyl compound Thioether Tricarboxylic acid or derivatives logp -2.51 ALOGPS logs -3.23 ALOGPS solubility 2.33e-01 g/l ALOGPS logp -2.8 ChemAxon pka_strongest_acidic 1.93 ChemAxon pka_strongest_basic 9.54 ChemAxon iupac (2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-4-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid ChemAxon average_mass 393.413 ChemAxon mono_mass 393.120585417 ChemAxon smiles CSC[C@H](NC(=O)CC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(O)=O)C(O)=O ChemAxon formula C14H23N3O8S ChemAxon inchi InChI=1S/C14H23N3O8S/c1-26-6-9(14(24)25)17-11(19)5-3-8(13(22)23)16-10(18)4-2-7(15)12(20)21/h7-9H,2-6,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)/t7-,8-,9+/m1/s1 ChemAxon inchikey GKIHDWYFYBDIIK-HLTSFMKQSA-N ChemAxon polar_surface_area 203.1 ChemAxon refractivity 90.09 ChemAxon polarizability 38.03 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon HMDB39424 #<Reference:0x000055ce3240f230> Pulses Unknown generic