1.0 2020-03-03 19:32:22 UTC 2020-04-22 15:56:11 UTC BMDB0063957 BMDB63957 Isoleucyl-Gamma-glutamate Isoleucyl-g-glutamate Isoleucyl-g-glutamic acid Isoleucyl-gamma-glutamic acid Isoleucyl-γ-glutamate Isoleucyl-γ-glutamic acid I-ge dipeptide IGE dipeptide Ile-gglu Isoleucine gamma-glutamate dipeptide Isoleucine-gamma-glutamate dipeptide Isoleucylgamma-glutamate L-Isoleucyl-L-gamma-glutamate 2-Amino-4-[(2-amino-3-methylpentanoyl)-C-hydroxycarbonimidoyl]butanoate C11H21N3O4 259.3021 259.153206175 2-amino-4-[(2-amino-3-methylpentanoyl)carbamoyl]butanoic acid 2-amino-4-[(2-amino-3-methylpentanoyl)carbamoyl]butanoic acid CCC(C)C(N)C(=O)NC(=O)CCC(N)C(O)=O InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-8(15)5-4-7(12)11(17)18/h6-7,9H,3-5,12-13H2,1-2H3,(H,17,18)(H,14,15,16) PFUZINYUQIJPNG-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 Branched fatty acids Carbonyl compounds Carboxylic acids Dicarboximides Hydrocarbon derivatives Isoleucine and 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 Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid imide Carboxylic acid imide, n-unsubstituted Dicarboximide Fatty acid Fatty acyl Glutamine or derivatives Hydrocarbon derivative Isoleucine or derivatives 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 -2.00 ALOGPS logs -1.82 ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 1.85 ChemAxon pka_strongest_basic 9.41 ChemAxon iupac 2-amino-4-[(2-amino-3-methylpentanoyl)carbamoyl]butanoic acid ChemAxon average_mass 259.3021 ChemAxon mono_mass 259.153206175 ChemAxon smiles CCC(C)C(N)C(=O)NC(=O)CCC(N)C(O)=O ChemAxon formula C11H21N3O4 ChemAxon inchi InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-8(15)5-4-7(12)11(17)18/h6-7,9H,3-5,12-13H2,1-2H3,(H,17,18)(H,14,15,16) ChemAxon inchikey PFUZINYUQIJPNG-UHFFFAOYSA-N ChemAxon polar_surface_area 135.51 ChemAxon refractivity 64.13 ChemAxon polarizability 27 ChemAxon rotatable_bond_count 7 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::CMs 21487 Specdb::CMs 40972 Specdb::CMs 157453 Specdb::MsMs 313792 Specdb::MsMs 313793 Specdb::MsMs 313794 Specdb::MsMs 359368 Specdb::MsMs 359369 Specdb::MsMs 359370 Specdb::MsMs 2826811 Specdb::MsMs 2826812 Specdb::MsMs 2826813 Specdb::MsMs 2856150 Specdb::MsMs 2856151 Specdb::MsMs 2856152 Specdb::NmrOneD 106198 Specdb::NmrOneD 106199 Specdb::NmrOneD 106200 Specdb::NmrOneD 106201 Specdb::NmrOneD 106202 Specdb::NmrOneD 106203 Specdb::NmrOneD 106204 Specdb::NmrOneD 106205 Specdb::NmrOneD 106206 Specdb::NmrOneD 106207 Specdb::NmrOneD 106208 Specdb::NmrOneD 106209 Specdb::NmrOneD 106210 Specdb::NmrOneD 106211 Specdb::NmrOneD 106212 Specdb::NmrOneD 106213 Specdb::NmrOneD 106214 Specdb::NmrOneD 106215 Specdb::NmrOneD 106216 Specdb::NmrOneD 106217 FDB111949 35032816 131750772