1.0 2020-03-03 19:35:50 UTC 2020-04-22 15:56:33 UTC BMDB0064015 BMDB64015 Methionyl-Gamma-glutamate Methionyl-g-glutamate Methionyl-g-glutamic acid Methionyl-gamma-glutamic acid Methionyl-γ-glutamate Methionyl-γ-glutamic acid L-Methionyl-L-gamma-glutamate m-GE dipeptide Met-gglu Methionine gamma-glutamate dipeptide Methionine-gamma-glutamate dipeptide Methionylgamma-glutamate MGE dipeptide 2-Amino-4-{[2-amino-4-(methylsulfanyl)butanoyl]-C-hydroxycarbonimidoyl}butanoate 2-Amino-4-{[2-amino-4-(methylsulphanyl)butanoyl]-C-hydroxycarbonimidoyl}butanoate 2-Amino-4-{[2-amino-4-(methylsulphanyl)butanoyl]-C-hydroxycarbonimidoyl}butanoic acid C10H19N3O4S 277.341 277.109626801 2-amino-4-{[2-amino-4-(methylsulfanyl)butanoyl]carbamoyl}butanoic acid 2-amino-4-{[2-amino-4-(methylsulfanyl)butanoyl]carbamoyl}butanoic acid CSCCC(N)C(=O)NC(=O)CCC(N)C(O)=O InChI=1S/C10H19N3O4S/c1-18-5-4-6(11)9(15)13-8(14)3-2-7(12)10(16)17/h6-7H,2-5,11-12H2,1H3,(H,16,17)(H,13,14,15) YVSZXQHOADMOLO-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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Glutamine and derivatives Alpha amino acid amides Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Dialkylthioethers Dicarboximides Fatty acids and conjugates Hydrocarbon derivatives Methionine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-unsubstituted carboxylic acid imides Organic oxides Organopnictogen compounds Sulfenyl compounds Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid amide Amine Amino acid Carbonyl group Carboxylic acid Carboxylic acid imide Carboxylic acid imide, n-unsubstituted Dialkylthioether Dicarboximide Fatty acid Glutamine or derivatives Hydrocarbon derivative Methionine or derivatives Monocarboxylic acid or derivatives N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Sulfenyl compound Thioether Aliphatic acyclic compounds logp -2.23 ALOGPS logs -2.01 ALOGPS logp -3.8 ChemAxon pka_strongest_acidic 1.97 ChemAxon pka_strongest_basic 9.41 ChemAxon iupac 2-amino-4-{[2-amino-4-(methylsulfanyl)butanoyl]carbamoyl}butanoic acid ChemAxon average_mass 277.341 ChemAxon mono_mass 277.109626801 ChemAxon smiles CSCCC(N)C(=O)NC(=O)CCC(N)C(O)=O ChemAxon formula C10H19N3O4S ChemAxon inchi InChI=1S/C10H19N3O4S/c1-18-5-4-6(11)9(15)13-8(14)3-2-7(12)10(16)17/h6-7H,2-5,11-12H2,1H3,(H,16,17)(H,13,14,15) ChemAxon inchikey YVSZXQHOADMOLO-UHFFFAOYSA-N ChemAxon polar_surface_area 135.51 ChemAxon refractivity 67.62 ChemAxon polarizability 28.46 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 296362 Specdb::MsMs 296363 Specdb::MsMs 296364 Specdb::MsMs 337636 Specdb::MsMs 337637 Specdb::MsMs 337638 Specdb::MsMs 2309127 Specdb::MsMs 2309128 Specdb::MsMs 2309129 Specdb::MsMs 2656507 Specdb::MsMs 2656508 Specdb::MsMs 2656509 Specdb::CMs 13772 Specdb::CMs 41033 Specdb::CMs 157714 Specdb::NmrOneD 106898 Specdb::NmrOneD 106899 Specdb::NmrOneD 106900 Specdb::NmrOneD 106901 Specdb::NmrOneD 106902 Specdb::NmrOneD 106903 Specdb::NmrOneD 106904 Specdb::NmrOneD 106905 Specdb::NmrOneD 106906 Specdb::NmrOneD 106907 Specdb::NmrOneD 106908 Specdb::NmrOneD 106909 Specdb::NmrOneD 106910 Specdb::NmrOneD 106911 Specdb::NmrOneD 106912 Specdb::NmrOneD 106913 Specdb::NmrOneD 106914 Specdb::NmrOneD 106915 Specdb::NmrOneD 106916 Specdb::NmrOneD 106917 FDB112007 35032820 131750778