1.0 2020-03-03 19:27:18 UTC 2020-04-22 15:55:38 UTC BMDB0063869 BMDB63869 Glutamylglutamine (2S)-2-[(2S)-2-Amino-4-carboxybutanamido]-4-carbamoylbutanoic acid (2S)-5-Amino-2-{[(2S)-2-amino-4-carboxybutanoyl]amino}-5-oxopentanoic acid alpha-Glu-GLN alpha-Glutamylglutamine alpha-L-Glu-L-GLN alpha-L-Glutamyl-L-glutamine E-Q EQ EQ dipeptide Glutamate glutamine dipeptide Glutamic acid glutamine dipeptide L-Glutamyl-L-glutamine L-Glutamylglutamine N(2)-alpha-L-Glutamyl-L-glutamine N(2)-L-Glutamyl-L-glutamine (2S)-2-[(2S)-2-Amino-4-carboxybutanamido]-4-carbamoylbutanoate (2S)-5-Amino-2-{[(2S)-2-amino-4-carboxybutanoyl]amino}-5-oxopentanoate a-Glu-GLN Α-glu-GLN a-Glutamylglutamine Α-glutamylglutamine a-L-Glu-L-GLN Α-L-glu-L-GLN a-L-Glutamyl-L-glutamine Α-L-glutamyl-L-glutamine N(2)-a-L-Glutamyl-L-glutamine N(2)-Α-L-glutamyl-L-glutamine e-Q Dipeptide Glu-GLN Glutamate-glutamine dipeptide L-Α-glutamyl-L-glutamine N2-Α-glutamylglutamine N2-Α-L-glutamyl-L-glutamine N2-L-Α-glutamylglutamine N2-L-Α-glutamyl-L-glutamine L-alpha-Glutamyl-L-glutamine N2-alpha-Glutamylglutamine N2-alpha-L-Glutamyl-L-glutamine N2-L-alpha-Glutamylglutamine N2-L-alpha-Glutamyl-L-glutamine L-Glu-L-GLN N2-Glutamylglutamine N2-L-Glutamyl-L-glutamine Glutamyl-glutamine Glutamic acid-glutamine dipeptide (2S)-2-{[(2S)-2-amino-4-carboxy-1-hydroxybutylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoate Glutamylglutamine C10H17N3O6 275.261 275.111735279 (2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanoic acid (2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanoic acid 26848-14-6 N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O InChI=1S/C10H17N3O6/c11-5(1-4-8(15)16)9(17)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/t5-,6-/m0/s1 MGHKSHCBDXNTHX-WDSKDSINSA-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 Alpha amino acid amides Amino acids Amino fatty acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Glutamic acid and derivatives Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-L-glutamines Organic oxides Primary carboxylic acid amides Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amino fatty acid Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Glutamic acid or derivatives Glutamine or derivatives Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid N-acyl-l-glutamine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary carboxylic acid amide Aliphatic acyclic compounds logp -3.56 ALOGPS logs -1.64 ALOGPS logp -5.2 ChemAxon pka_strongest_acidic 3.24 ChemAxon pka_strongest_basic 8.45 ChemAxon iupac (2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanoic acid ChemAxon average_mass 275.261 ChemAxon mono_mass 275.111735279 ChemAxon smiles N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O ChemAxon formula C10H17N3O6 ChemAxon inchi InChI=1S/C10H17N3O6/c11-5(1-4-8(15)16)9(17)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/t5-,6-/m0/s1 ChemAxon inchikey MGHKSHCBDXNTHX-WDSKDSINSA-N ChemAxon polar_surface_area 172.81 ChemAxon refractivity 61.2 ChemAxon polarizability 25.96 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 5 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 1312741 Specdb::MsMs 1312742 Specdb::MsMs 1312743 Specdb::MsMs 1427212 Specdb::MsMs 1427213 Specdb::MsMs 1427214 Specdb::MsMs 3223507 Specdb::MsMs 3223508 Specdb::MsMs 3223509 Specdb::MsMs 3223510 Specdb::MsMs 3223511 Specdb::MsMs 3223512 Specdb::CMs 136958 Specdb::CMs 144692 Specdb::NmrOneD 13842 Specdb::NmrOneD 13843 Specdb::NmrOneD 13844 Specdb::NmrOneD 13845 Specdb::NmrOneD 13846 Specdb::NmrOneD 13847 Specdb::NmrOneD 13848 Specdb::NmrOneD 13849 Specdb::NmrOneD 13850 Specdb::NmrOneD 13851 Specdb::NmrOneD 13852 Specdb::NmrOneD 13853 Specdb::NmrOneD 13854 Specdb::NmrOneD 13855 Specdb::NmrOneD 13856 Specdb::NmrOneD 13857 Specdb::NmrOneD 13858 Specdb::NmrOneD 13859 Specdb::NmrOneD 13860 Specdb::NmrOneD 13861 FDB111862 8347091 10171586 141435