1.0 2020-03-03 19:44:06 UTC 2020-05-11 20:43:05 UTC BMDB0064156 BMDB64156 gamma-Glutamylhistidine L-gamma-Glu-L-his L-g-Glu-L-his L-Γ-glu-L-his g-Glutamylhistidine Γ-glutamylhistidine gamma-Glutamate histidine dipeptide gamma-Glutamate-histidine dipeptide GE-H dipeptide GEH dipeptide GGlu-his L-gamma-Glutamyl-L-histidine Γ-glu-his Γ-L-glu-L-his Γ-L-glutamyl-L-histidine L-Γ-glutamyl-L-histidine N-Γ-glutamylhistidine N-L-Γ-glutamylhistidine N-L-Γ-glutamyl-L-histidine gamma-Glu-his gamma-L-Glu-L-his gamma-L-Glutamyl-L-histidine N-gamma-Glutamylhistidine N-L-gamma-Glutamylhistidine N-L-gamma-Glutamyl-L-histidine N-Γ-L-glutamyl-L-histidine N-gamma-L-Glutamyl-L-histidine g-Glu-his gamma-Glutamylhistidine C11H16N4O5 284.272 284.112069631 (2S)-2-amino-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid (2S)-2-amino-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid 37460-15-4 N[C@@H](CCC(=O)N[C@@H](CC1=CNC=N1)C(O)=O)C(O)=O InChI=1S/C11H16N4O5/c12-7(10(17)18)1-2-9(16)15-8(11(19)20)3-6-4-13-5-14-6/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t7-,8-/m0/s1 PXVCMZCJAUJLJP-YUMQZZPRSA-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 Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Gamma-glutamyl amino acids Glutamine and derivatives Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives L-alpha-amino acids Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Secondary carboxylic acid amides Alpha-amino acid Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acyl Fatty amide Gamma-glutamyl alpha-amino acid Glutamine or derivatives Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative 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 Secondary carboxylic acid amide Aromatic heteromonocyclic compounds logp -3.00 ALOGPS logs -1.78 ALOGPS logp -6.5 ChemAxon pka_strongest_acidic 1.67 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac (2S)-2-amino-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid ChemAxon average_mass 284.272 ChemAxon mono_mass 284.112069631 ChemAxon smiles N[C@@H](CCC(=O)N[C@@H](CC1=CNC=N1)C(O)=O)C(O)=O ChemAxon formula C11H16N4O5 ChemAxon inchi InChI=1S/C11H16N4O5/c12-7(10(17)18)1-2-9(16)15-8(11(19)20)3-6-4-13-5-14-6/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t7-,8-/m0/s1 ChemAxon inchikey PXVCMZCJAUJLJP-YUMQZZPRSA-N ChemAxon polar_surface_area 158.4 ChemAxon refractivity 65.58 ChemAxon polarizability 27.4 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 162919 Specdb::MsMs 1303030 Specdb::MsMs 1303031 Specdb::MsMs 1303032 Specdb::MsMs 1417600 Specdb::MsMs 1417601 Specdb::MsMs 1417602 Specdb::MsMs 2458160 Specdb::MsMs 2458161 Specdb::MsMs 2458162 Specdb::MsMs 2481040 Specdb::MsMs 2481041 Specdb::MsMs 2481042 Specdb::NmrOneD 157070 Specdb::NmrOneD 157071 Specdb::NmrOneD 157072 Specdb::NmrOneD 157073 Specdb::NmrOneD 157074 Specdb::NmrOneD 157075 Specdb::NmrOneD 157076 Specdb::NmrOneD 157077 Specdb::NmrOneD 157078 Specdb::NmrOneD 157079 Specdb::NmrOneD 157080 Specdb::NmrOneD 157081 Specdb::NmrOneD 157082 Specdb::NmrOneD 157083 Specdb::NmrOneD 157084 Specdb::NmrOneD 157085 Specdb::NmrOneD 157086 Specdb::NmrOneD 157087 Specdb::NmrOneD 157088 Specdb::NmrOneD 157089 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB112147 5380197 7017195 133032