1.02010-04-08 22:05:53 UTC2019-11-26 02:59:26 UTCFDB003617gamma-L-Glutamyl-L-leucineGamma-glutamylleucine, also known as gamma-glutamyl-leucine, (d,l)-isomer or L-gamma-glu-L-leu, is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Gamma-glutamylleucine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Gamma-glutamylleucine can be found in soft-necked garlic, which makes gamma-glutamylleucine a potential biomarker for the consumption of this food product. Gamma-glutamylleucine can be found primarily in blood and feces. C11H20N2O5260.2869260.13722176(2S)-2-[(4S)-4-amino-4-carboxybutanamido]-4-methylpentanoic acid(2S)-2-[(4S)-4-amino-4-carboxybutanamido]-4-methylpentanoic acid2566-39-4CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=OInChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1MYFMARDICOWMQP-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.DipeptidesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAliphatic acyclic compoundsAmino acidsCarbonyl compoundsCarboxylic acidsDicarboxylic acids and derivativesGamma-glutamyl amino acidsGlutamine and derivativesHydrocarbon derivativesL-alpha-amino acidsLeucine and derivativesMethyl-branched fatty acidsMonoalkylaminesN-acyl aminesN-acyl-L-alpha-amino acidsOrganic oxidesOrganopnictogen compoundsSecondary carboxylic acid amidesAliphatic acyclic compoundAlpha-amino acidAlpha-amino acid or derivativesAlpha-dipeptideAmineAmino acidAmino acid or derivativesBranched fatty acidCarbonyl groupCarboxamide groupCarboxylic acidDicarboxylic acid or derivativesFatty acidFatty acylFatty amideGamma-glutamyl alpha-amino acidGlutamine or derivativesHydrocarbon derivativeL-alpha-amino acidLeucine or derivativesMethyl-branched fatty acidN-acyl-alpha amino acid or derivativesN-acyl-alpha-amino acidN-acyl-amineN-acyl-l-alpha-amino acidOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPrimary aliphatic aminePrimary amineSecondary carboxylic acid amideglutamyl-L-amino acidlogp-2.60logs-1.76solubility4.48e+00 g/llogp-2.5pka_strongest_acidic1.78pka_strongest_basic9.31iupac(2S)-2-[(4S)-4-amino-4-carboxybutanamido]-4-methylpentanoic acidaverage_mass260.2869mono_mass260.13722176smilesCC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=OformulaC11H20N2O5inchiInChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1inchikeyMYFMARDICOWMQP-YUMQZZPRSA-Npolar_surface_area129.72refractivity62.26polarizability26.29rotatable_bond_count8acceptor_count6donor_count4physiological_charge-1formal_charge0Specdb::CMs135448Specdb::CMs143182Specdb::NmrOneD93092Specdb::NmrOneD93093Specdb::NmrOneD93094Specdb::NmrOneD93095Specdb::NmrOneD93096Specdb::NmrOneD93097Specdb::NmrOneD93098Specdb::NmrOneD93099Specdb::NmrOneD93100Specdb::NmrOneD93101Specdb::NmrOneD93102Specdb::NmrOneD93103Specdb::NmrOneD93104Specdb::NmrOneD93105Specdb::NmrOneD93106Specdb::NmrOneD93107Specdb::NmrOneD93108Specdb::NmrOneD93109Specdb::NmrOneD93110Specdb::NmrOneD93111Specdb::MsMs53472Specdb::MsMs53473Specdb::MsMs53474Specdb::MsMs117003Specdb::MsMs117004Specdb::MsMs117005Specdb::MsMs2254380Specdb::MsMs2256167Specdb::MsMs2336566Specdb::MsMs2336567Specdb::MsMs2336568Specdb::MsMs2629955Specdb::MsMs2629956Specdb::MsMs2629957Soft-necked garlicType 1specificAllium sativum L. var. sativum4682