1.0 2010-04-08 22:13:49 UTC 2019-11-26 03:16:23 UTC FDB018600 N-gamma-Glutamyl-S-propylcysteine Isolated from garlic (Allium sativum) and chives (Allium schoenoprasum). N-gamma-Glutamyl-S-propylcysteine is found in many foods, some of which are garlic, chives, soft-necked garlic, and onion-family vegetables. N-g-Glutamyl-S-propylcysteine C11H20N2O5S 292.352 292.10929245 2-amino-4-{[1-carboxy-2-(propylsulfanyl)ethyl]carbamoyl}butanoic acid 2-amino-4-{[1-carboxy-2-(propylsulfanyl)ethyl]carbamoyl}butanoic acid 91212-00-9 CCCSCC(NC(=O)CCC(N)C(O)=O)C(O)=O InChI=1S/C11H20N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18) MTFUIXBAXHURMH-UHFFFAOYSA-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 Aliphatic acyclic compounds Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Cysteine and derivatives Dialkylthioethers Dicarboxylic acids and derivatives Fatty acids and conjugates Gamma-glutamyl amino acids Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Sulfenyl compounds Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Cysteine or derivatives Dialkylthioether Dicarboxylic acid or derivatives Fatty acid 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 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 logp -2.37 ALOGPS logs -2.18 ALOGPS solubility 1.93e+00 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 1.78 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac 2-amino-4-{[1-carboxy-2-(propylsulfanyl)ethyl]carbamoyl}butanoic acid ChemAxon average_mass 292.352 ChemAxon mono_mass 292.10929245 ChemAxon smiles CCCSCC(NC(=O)CCC(N)C(O)=O)C(O)=O ChemAxon formula C11H20N2O5S ChemAxon inchi InChI=1S/C11H20N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18) ChemAxon inchikey MTFUIXBAXHURMH-UHFFFAOYSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 70.28 ChemAxon polarizability 30.09 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12825 Specdb::CMs 46257 Specdb::CMs 168924 Specdb::MsMs 93120 Specdb::MsMs 93121 Specdb::MsMs 93122 Specdb::MsMs 156849 Specdb::MsMs 156850 Specdb::MsMs 156851 Specdb::MsMs 2290125 Specdb::MsMs 2290126 Specdb::MsMs 2290127 Specdb::MsMs 2649420 Specdb::MsMs 2649421 Specdb::MsMs 2649422 Specdb::NmrOneD 31062 Specdb::NmrOneD 31063 Specdb::NmrOneD 31064 Specdb::NmrOneD 31065 Specdb::NmrOneD 31066 Specdb::NmrOneD 31067 Specdb::NmrOneD 31068 Specdb::NmrOneD 31069 Specdb::NmrOneD 31070 Specdb::NmrOneD 31071 Specdb::NmrOneD 31072 Specdb::NmrOneD 31073 Specdb::NmrOneD 31074 Specdb::NmrOneD 31075 Specdb::NmrOneD 31076 Specdb::NmrOneD 31077 Specdb::NmrOneD 31078 Specdb::NmrOneD 31079 Specdb::NmrOneD 31080 Specdb::NmrOneD 31081 HMDB39096 #<Reference:0x000055ce321f5c60> Chives Type 1 specific Allium schoenoprasum 74900 Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Garlic Type 1 specific Allium sativum 4682 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Welsh onion Type 1 specific Allium fistulosum 35875