1.0 2010-04-08 22:14:55 UTC 2019-11-26 03:18:43 UTC FDB020281 gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine Constituent of Lens culinaris (lentil). gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine is found in pulses. g-Glutamyl-b-(isoxazolin-5-on-2-yl)alanine C11H15N3O7 301.2527 301.090999849 2-amino-4-{[(1S)-1-carboxy-2-(5-oxo-2,5-dihydro-1,2-oxazol-2-yl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid 2-amino-4-{[(1S)-1-carboxy-2-(5-oxo-1,2-oxazol-2-yl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid 142115-24-0 [H][C@@](CN1OC(=O)C=C1)(NC(=O)CCC(N)C(O)=O)C(O)=O InChI=1S/C11H15N3O7/c12-6(10(17)18)1-2-8(15)13-7(11(19)20)5-14-4-3-9(16)21-14/h3-4,6-7H,1-2,5,12H2,(H,13,15)(H,17,18)(H,19,20)/t6?,7-/m0/s1 XXZPYJHULCBZPT-MLWJPKLSSA-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 Aromatic heteromonocyclic compounds Alpha amino acids Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Gamma-glutamyl amino acids Glutamine and derivatives Heteroaromatic compounds Hydrocarbon derivatives Isoxazoles Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Oxacyclic compounds Secondary carboxylic acid amides Vinylogous amides Alpha-amino acid Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acyl Fatty amide Gamma-glutamyl alpha-amino acid Glutamine or derivatives Heteroaromatic compound Hydrocarbon derivative Isoxazole 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 Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary aliphatic amine Primary amine Secondary carboxylic acid amide Vinylogous amide logp -3.13 ALOGPS logs -2.13 ALOGPS solubility 2.24e+00 g/l ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 1.69 ChemAxon pka_strongest_basic 9.54 ChemAxon iupac 2-amino-4-{[(1S)-1-carboxy-2-(5-oxo-2,5-dihydro-1,2-oxazol-2-yl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid ChemAxon average_mass 301.2527 ChemAxon mono_mass 301.090999849 ChemAxon smiles [H][C@@](CN1OC(=O)C=C1)(NC(=O)CCC(N)C(O)=O)C(O)=O ChemAxon formula C11H15N3O7 ChemAxon inchi InChI=1S/C11H15N3O7/c12-6(10(17)18)1-2-8(15)13-7(11(19)20)5-14-4-3-9(16)21-14/h3-4,6-7H,1-2,5,12H2,(H,13,15)(H,17,18)(H,19,20)/t6?,7-/m0/s1 ChemAxon inchikey XXZPYJHULCBZPT-MLWJPKLSSA-N ChemAxon polar_surface_area 162.75 ChemAxon refractivity 66.36 ChemAxon polarizability 27.42 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB40515 #<Reference:0x000055ce31c9e1e0> Pulses Unknown generic