1.0 2010-04-08 22:13:22 UTC 2019-11-26 03:15:24 UTC FDB017894 L-gamma-Glutamyl-beta-phenyl-beta-L-alanine Isolated from Phaseolus angularis (Azuki bean). L-gamma-Glutamyl-beta-phenyl-beta-L-alanine is found in pulses. C14H18N2O5 294.3031 294.121571696 2-amino-4-[(2-carboxy-1-phenylethyl)carbamoyl]butanoic acid 2-amino-4-[(2-carboxy-1-phenylethyl)carbamoyl]butanoic acid 10275-84-0 NC(CCC(=O)NC(CC(O)=O)C1=CC=CC=C1)C(O)=O InChI=1S/C14H18N2O5/c15-10(14(20)21)6-7-12(17)16-11(8-13(18)19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21) IDPGQVFKQDLMJA-UHFFFAOYSA-N belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Glutamine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds Alpha amino acids Amino acids Benzene and substituted derivatives Beta amino acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines Organic oxides Organopnictogen compounds Phenylpropanoic acids Secondary carboxylic acid amides 3-phenylpropanoic-acid Alpha-amino acid Amine Amino acid Aromatic homomonocyclic compound Benzenoid Beta amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative Monocyclic benzene moiety N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide logp -2.30 ALOGPS logs -2.88 ALOGPS solubility 3.85e-01 g/l ALOGPS melting_point Mp 213-214° logp -2.3 ChemAxon pka_strongest_acidic 1.85 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac 2-amino-4-[(2-carboxy-1-phenylethyl)carbamoyl]butanoic acid ChemAxon average_mass 294.3031 ChemAxon mono_mass 294.121571696 ChemAxon smiles NC(CCC(=O)NC(CC(O)=O)C1=CC=CC=C1)C(O)=O ChemAxon formula C14H18N2O5 ChemAxon inchi InChI=1S/C14H18N2O5/c15-10(14(20)21)6-7-12(17)16-11(8-13(18)19)9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21) ChemAxon inchikey IDPGQVFKQDLMJA-UHFFFAOYSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 73.07 ChemAxon polarizability 29.09 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45402 Specdb::MsMs 45403 Specdb::MsMs 45404 Specdb::MsMs 154509 Specdb::MsMs 154510 Specdb::MsMs 154511 Specdb::MsMs 2715910 Specdb::MsMs 2715911 Specdb::MsMs 2715912 Specdb::MsMs 2966919 Specdb::MsMs 2966920 Specdb::MsMs 2966921 Specdb::CMs 9796 Specdb::CMs 45879 Specdb::CMs 173798 Specdb::NmrOneD 27102 Specdb::NmrOneD 27103 Specdb::NmrOneD 27104 Specdb::NmrOneD 27105 Specdb::NmrOneD 27106 Specdb::NmrOneD 27107 Specdb::NmrOneD 27108 Specdb::NmrOneD 27109 Specdb::NmrOneD 27110 Specdb::NmrOneD 27111 Specdb::NmrOneD 27112 Specdb::NmrOneD 27113 Specdb::NmrOneD 27114 Specdb::NmrOneD 27115 Specdb::NmrOneD 27116 Specdb::NmrOneD 27117 Specdb::NmrOneD 27118 Specdb::NmrOneD 27119 Specdb::NmrOneD 27120 Specdb::NmrOneD 27121 HMDB38514 #<Reference:0x000055ce30595430> Pulses Unknown generic