1.0 2020-03-03 19:34:45 UTC 2020-04-22 15:56:26 UTC BMDB0063996 BMDB63996 Lysyl-Gamma-glutamate Lysyl-g-glutamate Lysyl-g-glutamic acid Lysyl-gamma-glutamic acid Lysyl-γ-glutamate Lysyl-γ-glutamic acid K-GE dipeptide KGE dipeptide L-Lysyl-L-gamma-glutamate Lys-gglu Lysine gamma-glutamate dipeptide Lysine-gamma-glutamate dipeptide Lysylgamma-glutamate 2-Amino-4-[(2,6-diaminohexanoyl)-C-hydroxycarbonimidoyl]butanoate C11H22N4O4 274.3168 274.164105212 2-amino-4-[(2,6-diaminohexanoyl)carbamoyl]butanoic acid 2-amino-4-[(2,6-diaminohexanoyl)carbamoyl]butanoic acid NCCCCC(N)C(=O)NC(=O)CCC(N)C(O)=O InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-9(16)5-4-8(14)11(18)19/h7-8H,1-6,12-14H2,(H,18,19)(H,15,16,17) MEFNTMKESSGLSP-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 Dicarboximides Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-unsubstituted carboxylic acid imides Organic oxides Organopnictogen 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 Dicarboximide Fatty acid Glutamine or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Aliphatic acyclic compounds logp -3.27 ALOGPS logs -1.99 ALOGPS logp -4.7 ChemAxon pka_strongest_acidic 1.97 ChemAxon pka_strongest_basic 10.25 ChemAxon iupac 2-amino-4-[(2,6-diaminohexanoyl)carbamoyl]butanoic acid ChemAxon average_mass 274.3168 ChemAxon mono_mass 274.164105212 ChemAxon smiles NCCCCC(N)C(=O)NC(=O)CCC(N)C(O)=O ChemAxon formula C11H22N4O4 ChemAxon inchi InChI=1S/C11H22N4O4/c12-6-2-1-3-7(13)10(17)15-9(16)5-4-8(14)11(18)19/h7-8H,1-6,12-14H2,(H,18,19)(H,15,16,17) ChemAxon inchikey MEFNTMKESSGLSP-UHFFFAOYSA-N ChemAxon polar_surface_area 161.53 ChemAxon refractivity 67.84 ChemAxon polarizability 28.85 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 2 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::CMs 18093 Specdb::CMs 41012 Specdb::CMs 151220 Specdb::MsMs 306106 Specdb::MsMs 306107 Specdb::MsMs 306108 Specdb::MsMs 349648 Specdb::MsMs 349649 Specdb::MsMs 349650 Specdb::MsMs 2755966 Specdb::MsMs 2755967 Specdb::MsMs 2755968 Specdb::MsMs 2952996 Specdb::MsMs 2952997 Specdb::MsMs 2952998 Specdb::NmrOneD 156090 Specdb::NmrOneD 156091 Specdb::NmrOneD 156092 Specdb::NmrOneD 156093 Specdb::NmrOneD 156094 Specdb::NmrOneD 156095 Specdb::NmrOneD 156096 Specdb::NmrOneD 156097 Specdb::NmrOneD 156098 Specdb::NmrOneD 156099 Specdb::NmrOneD 156100 Specdb::NmrOneD 156101 Specdb::NmrOneD 156102 Specdb::NmrOneD 156103 Specdb::NmrOneD 156104 Specdb::NmrOneD 156105 Specdb::NmrOneD 156106 Specdb::NmrOneD 156107 Specdb::NmrOneD 156108 Specdb::NmrOneD 156109 FDB111988 35032818 131750776 174622