1.0 2020-03-03 19:27:29 UTC 2020-04-22 15:55:39 UTC BMDB0063872 BMDB63872 Glutamylhistidine e-H Dipeptide EH dipeptide Glu-his Glutamate histidine dipeptide Glutamate-histidine dipeptide L-Glutamyl-L-histidine Α-glu-his Α-L-glu-L-his Α-glutamylhistidine Α-L-glutamyl-L-histidine L-Α-glutamyl-L-histidine N-Α-glutamylhistidine N-Α-L-glutamyl-L-histidine N-L-Α-glutamylhistidine N-L-Α-glutamyl-L-histidine alpha-Glu-his alpha-L-Glu-L-his alpha-Glutamylhistidine alpha-L-Glutamyl-L-histidine L-alpha-Glutamyl-L-histidine N-alpha-Glutamylhistidine N-alpha-L-Glutamyl-L-histidine N-L-alpha-Glutamylhistidine N-L-alpha-Glutamyl-L-histidine L-Glu-L-his N-Glutamylhistidine N-L-Glutamyl-L-histidine Glutamyl-histidine Glutamic acid histidine dipeptide Glutamic acid-histidine dipeptide (4S)-4-Amino-4-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]-C-hydroxycarbonimidoyl}butanoate Glutamylhistidine C11H16N4O5 284.272 284.112069631 (4S)-4-amino-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid (4S)-4-amino-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid 21435-29-0 N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O InChI=1S/C11H16N4O5/c12-7(1-2-9(16)17)10(18)15-8(11(19)20)3-6-4-13-5-14-6/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/t7-,8-/m0/s1 HKTRDWYCAUTRRL-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 Amino fatty acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Glutamic acid and derivatives Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Secondary carboxylic acid amides Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amino fatty acid 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-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 -3.02 ALOGPS logs -1.74 ALOGPS logp -6.3 ChemAxon pka_strongest_acidic 3.05 ChemAxon pka_strongest_basic 8.46 ChemAxon iupac (4S)-4-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)=O)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O ChemAxon formula C11H16N4O5 ChemAxon inchi InChI=1S/C11H16N4O5/c12-7(1-2-9(16)17)10(18)15-8(11(19)20)3-6-4-13-5-14-6/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 HKTRDWYCAUTRRL-YUMQZZPRSA-N ChemAxon polar_surface_area 158.4 ChemAxon refractivity 65.58 ChemAxon polarizability 27.26 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 137637 Specdb::CMs 145371 Specdb::MsMs 1236937 Specdb::MsMs 1236938 Specdb::MsMs 1236939 Specdb::MsMs 1352407 Specdb::MsMs 1352408 Specdb::MsMs 1352409 Specdb::MsMs 3223525 Specdb::MsMs 3223526 Specdb::MsMs 3223527 Specdb::MsMs 3223528 Specdb::MsMs 3223529 Specdb::MsMs 3223530 Specdb::NmrOneD 105458 Specdb::NmrOneD 105459 Specdb::NmrOneD 105460 Specdb::NmrOneD 105461 Specdb::NmrOneD 105462 Specdb::NmrOneD 105463 Specdb::NmrOneD 105464 Specdb::NmrOneD 105465 Specdb::NmrOneD 105466 Specdb::NmrOneD 105467 Specdb::NmrOneD 105468 Specdb::NmrOneD 105469 Specdb::NmrOneD 105470 Specdb::NmrOneD 105471 Specdb::NmrOneD 105472 Specdb::NmrOneD 105473 Specdb::NmrOneD 105474 Specdb::NmrOneD 105475 Specdb::NmrOneD 105476 Specdb::NmrOneD 105477 FDB111865 8097510 9921875