1.0 2020-03-03 19:30:17 UTC 2020-04-22 15:55:57 UTC BMDB0063921 BMDB63921 Histidylglutamic acid HE Histidinyl-glutamate Histidylglutamate L-His-L-glu Histidinyl-glutamic acid H-e Dipeptide HE dipeptide His-glu Histidine glutamic acid dipeptide Histidine-glutamic acid dipeptide Histidinylglutamate Histidinylglutamic acid Histidyl-glutamic acid L-Histidinyl-L-glutamate L-Histidinyl-L-glutamic acid L-Histidyl-L-glutamic acid N-Histidinylglutamate N-Histidinylglutamic acid N-Histidylglutamate N-Histidylglutamic acid N-L-Histidinyl-L-glutamate N-L-Histidinyl-L-glutamic acid N-L-Histidyl-L-glutamate N-L-Histidyl-L-glutamic acid Histidylglutamic acid C11H16N4O5 284.272 284.112069631 (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid 53634-28-9 N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C11H16N4O5/c12-7(3-6-4-13-5-14-6)10(18)15-8(11(19)20)1-2-9(16)17/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/t7-,8-/m0/s1 VHOLZZKNEBBHTH-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 Alpha amino acid amides Amino acids Aralkylamines Azacyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty amides Glutamic acid and derivatives Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monoalkylamines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acyl Fatty amide Glutamic acid or derivatives Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aromatic heteromonocyclic compounds dipeptide logp -3.11 ALOGPS logs -1.73 ALOGPS logp -6.1 ChemAxon pka_strongest_acidic 3.07 ChemAxon pka_strongest_basic 7.84 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid ChemAxon average_mass 284.272 ChemAxon mono_mass 284.112069631 ChemAxon smiles N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(O)=O)C(O)=O ChemAxon formula C11H16N4O5 ChemAxon inchi InChI=1S/C11H16N4O5/c12-7(3-6-4-13-5-14-6)10(18)15-8(11(19)20)1-2-9(16)17/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/t7-,8-/m0/s1 ChemAxon inchikey VHOLZZKNEBBHTH-YUMQZZPRSA-N ChemAxon polar_surface_area 158.4 ChemAxon refractivity 65.58 ChemAxon polarizability 27.3 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::MsMs 2800720 Specdb::MsMs 2800721 Specdb::MsMs 2800722 Specdb::MsMs 2878757 Specdb::MsMs 2878758 Specdb::MsMs 2878759 Specdb::CMs 174382 Specdb::NmrOneD 106018 Specdb::NmrOneD 106019 Specdb::NmrOneD 106020 Specdb::NmrOneD 106021 Specdb::NmrOneD 106022 Specdb::NmrOneD 106023 Specdb::NmrOneD 106024 Specdb::NmrOneD 106025 Specdb::NmrOneD 106026 Specdb::NmrOneD 106027 Specdb::NmrOneD 106028 Specdb::NmrOneD 106029 Specdb::NmrOneD 106030 Specdb::NmrOneD 106031 Specdb::NmrOneD 106032 Specdb::NmrOneD 106033 Specdb::NmrOneD 106034 Specdb::NmrOneD 106035 Specdb::NmrOneD 106036 Specdb::NmrOneD 106037 FDB111913 5374150 7010583 73928