1.0 2020-03-03 19:44:24 UTC 2020-04-22 15:57:27 UTC BMDB0064161 BMDB64161 gamma-Glutamyltryptophan L-gamma-Glu-L-TRP L-g-Glu-L-TRP L-Γ-glu-L-TRP g-Glutamyltryptophan Γ-glutamyltryptophan gamma-Glutamate tryptophan dipeptide gamma-Glutamate-tryptophan dipeptide GE-W dipeptide GEW dipeptide GGlu-TRP L-gamma-Glutamyl-L-tryptophan gamma-L-Glutamyl-L-tryptophan gamma-Glutamyl-tryptophan gamma-Glu-TRP Bestim Γ-glu-TRP Γ-L-glu-L-TRP Γ-L-glutamyl-L-tryptophan L-Γ-glutamyl-L-tryptophan N-Γ-glutamyltryptophan N-L-Γ-glutamyltryptophan N-L-Γ-glutamyl-L-tryptophan gamma-L-Glu-L-TRP N-gamma-Glutamyltryptophan N-L-gamma-Glutamyltryptophan N-L-gamma-Glutamyl-L-tryptophan N-Γ-L-glutamyl-L-tryptophan N-gamma-L-Glutamyl-L-tryptophan g-Glu-TRP gamma-Glutamyltryptophan C16H19N3O5 333.344 333.132470724 (2S)-2-amino-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid (2S)-2-amino-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid 66471-20-3 N[C@@H](CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)C(O)=O InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13-/m0/s1 CATMPQFFVNKDEY-AAEUAGOBSA-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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides 3-alkylindoles Amino acids Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Gamma-glutamyl amino acids Glutamine and derivatives Heteroaromatic compounds Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Secondary carboxylic acid amides Substituted pyrroles 3-alkylindole Alpha-amino acid Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid 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 Indole Indole or derivatives 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 Organoheterocyclic compound Organonitrogen compound Organooxygen compound Primary aliphatic amine Primary amine Pyrrole Secondary carboxylic acid amide Substituted pyrrole Aromatic heteropolycyclic compounds logp -1.39 ALOGPS logs -2.98 ALOGPS logp -2 ChemAxon pka_strongest_acidic 1.98 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac (2S)-2-amino-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid ChemAxon average_mass 333.344 ChemAxon mono_mass 333.132470724 ChemAxon smiles N[C@@H](CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)C(O)=O ChemAxon formula C16H19N3O5 ChemAxon inchi InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13-/m0/s1 ChemAxon inchikey CATMPQFFVNKDEY-AAEUAGOBSA-N ChemAxon polar_surface_area 145.51 ChemAxon refractivity 84.29 ChemAxon polarizability 33.64 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1311931 Specdb::MsMs 1311932 Specdb::MsMs 1311933 Specdb::MsMs 1426402 Specdb::MsMs 1426403 Specdb::MsMs 1426404 Specdb::MsMs 2714011 Specdb::MsMs 2714012 Specdb::MsMs 2714013 Specdb::MsMs 2965344 Specdb::MsMs 2965345 Specdb::MsMs 2965346 Specdb::NmrOneD 157130 Specdb::NmrOneD 157131 Specdb::NmrOneD 157132 Specdb::NmrOneD 157133 Specdb::NmrOneD 157134 Specdb::NmrOneD 157135 Specdb::NmrOneD 157136 Specdb::NmrOneD 157137 Specdb::NmrOneD 157138 Specdb::NmrOneD 157139 Specdb::NmrOneD 157140 Specdb::NmrOneD 157141 Specdb::NmrOneD 157142 Specdb::NmrOneD 157143 Specdb::NmrOneD 157144 Specdb::NmrOneD 157145 Specdb::NmrOneD 157146 Specdb::NmrOneD 157147 Specdb::NmrOneD 157148 Specdb::NmrOneD 157149 Specdb::CMs 166651 FDB112152 2302065 3038501 133028