1.0 2020-03-03 19:30:14 UTC 2020-04-22 15:55:57 UTC BMDB0063920 BMDB63920 Histidylglutamine H-Q Dipeptide HQ Dipeptide His-GLN Histidine glutamine dipeptide Histidine-glutamine dipeptide Histidinyl-glutamine Histidinylglutamine Histidyl-glutamine L-His-L-GLN L-Histidinyl-L-glutamine L-Histidyl-L-glutamine N-Histidinylglutamine N-Histidylglutamine N-L-Histidinyl-L-glutamine N-L-Histidyl-L-glutamine Histidylglutamine C11H17N5O4 283.288 283.128054047 (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid 224638-13-5 N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(N)=O)C(O)=O InChI=1S/C11H17N5O4/c12-7(3-6-4-14-5-15-6)10(18)16-8(11(19)20)1-2-9(13)17/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)/t7-,8-/m0/s1 CTCFZNBRZBNKAX-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 Fatty amides Glutamine and derivatives Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-glutamines Organic oxides Primary carboxylic acid amides 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 Fatty acyl Fatty amide Glutamine or derivatives Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid N-acyl-l-glutamine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary carboxylic acid amide Aromatic heteromonocyclic compounds logp -3.08 ALOGPS logs -1.60 ALOGPS logp -4.9 ChemAxon pka_strongest_acidic 3.34 ChemAxon pka_strongest_basic 7.84 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid ChemAxon average_mass 283.288 ChemAxon mono_mass 283.128054047 ChemAxon smiles N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(N)=O)C(O)=O ChemAxon formula C11H17N5O4 ChemAxon inchi InChI=1S/C11H17N5O4/c12-7(3-6-4-14-5-15-6)10(18)16-8(11(19)20)1-2-9(13)17/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)/t7-,8-/m0/s1 ChemAxon inchikey CTCFZNBRZBNKAX-YUMQZZPRSA-N ChemAxon polar_surface_area 164.19 ChemAxon refractivity 67.4 ChemAxon polarizability 27.69 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 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 164701 Specdb::MsMs 2807408 Specdb::MsMs 2807409 Specdb::MsMs 2807410 Specdb::MsMs 2898801 Specdb::MsMs 2898802 Specdb::MsMs 2898803 Specdb::NmrOneD 105998 Specdb::NmrOneD 105999 Specdb::NmrOneD 106000 Specdb::NmrOneD 106001 Specdb::NmrOneD 106002 Specdb::NmrOneD 106003 Specdb::NmrOneD 106004 Specdb::NmrOneD 106005 Specdb::NmrOneD 106006 Specdb::NmrOneD 106007 Specdb::NmrOneD 106008 Specdb::NmrOneD 106009 Specdb::NmrOneD 106010 Specdb::NmrOneD 106011 Specdb::NmrOneD 106012 Specdb::NmrOneD 106013 Specdb::NmrOneD 106014 Specdb::NmrOneD 106015 Specdb::NmrOneD 106016 Specdb::NmrOneD 106017 FDB111912 8076082 9900427