1.0 2026-09-21 13:22:04 UTC 2026-09-21 13:22:04 UTC FDB116498 gamma-Glutamyl-S-allylcysteine (2S)-2-amino-5-[[(1R)-1-carboxy-2-prop-2-enylsulfanylethyl]amino]-5-oxopentanoic acid (2S)-5-[[(1R)-2-allylsulfanyl-1-carboxy-ethyl]amino]-2-amino-5-oxo-pentanoic acid C11H18N2O5S 290.33 290.093642862 (2S)-2-amino-4-{[(1R)-1-carboxy-2-(prop-2-en-1-ylsulfanyl)ethyl]carbamoyl}butanoic acid (2S)-2-amino-4-{[(1R)-1-carboxy-2-(prop-2-en-1-ylsulfanyl)ethyl]carbamoyl}butanoic acid [H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC=C)C(O)=O)C(O)=O InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1 FUTHBNRZCFKVQZ-YUMQZZPRSA-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 Allyl sulfur compounds Amino acids Carbonyl compounds Carboxylic acids Cysteine and derivatives Dialkylthioethers Dicarboxylic acids and derivatives Gamma-glutamyl amino acids Glutamine and derivatives Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Secondary carboxylic acid amides Sulfenyl compounds Aliphatic acyclic compound Allyl sulfur 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 acyl Fatty amide Gamma-glutamyl alpha-amino acid Glutamine or derivatives Hydrocarbon derivative L-alpha-amino acid 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 Organosulfur compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Sulfenyl compound Thioether logp -2.67 ALOGPS logs -1.91 ALOGPS solubility 3.55e+00 g/l ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 1.78 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac (2S)-2-amino-4-{[(1R)-1-carboxy-2-(prop-2-en-1-ylsulfanyl)ethyl]carbamoyl}butanoic acid ChemAxon average_mass 290.33 ChemAxon mono_mass 290.093642862 ChemAxon smiles [H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC=C)C(O)=O)C(O)=O ChemAxon formula C11H18N2O5S ChemAxon inchi InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1 ChemAxon inchikey FUTHBNRZCFKVQZ-YUMQZZPRSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 70.17 ChemAxon polarizability 29.08 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1249378 Specdb::MsMs 1249379 Specdb::MsMs 1249380 Specdb::MsMs 1364677 Specdb::MsMs 1364678 Specdb::MsMs 1364679