1.0 2018-07-17 17:22:08 UTC 2020-03-13 17:34:56 UTC BMDB0062242 BMDB62242 Histidinyl-Valine Histidinyl-valine, also known as H-V dipeptide or his-val, 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. Histidinyl-valine is possibly soluble (in water) and a very strong basic compound (based on its pKa). H-V Dipeptide His-val Histidine valine dipeptide Histidine-valine dipeptide Histidinylvaline HV Dipeptide L-Histidinyl-L-valine 2-{[2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-3-methylbutanoate C11H18N4O3 254.2856 254.137890462 2-{[2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-3-methylbutanoic acid 2-{[2-amino-1-hydroxy-3-(3H-imidazol-4-yl)propylidene]amino}-3-methylbutanoic acid CC(C)C(N=C(O)C(N)CC1=CN=CN1)C(O)=O InChI=1S/C11H18N4O3/c1-6(2)9(11(17)18)15-10(16)8(12)3-7-4-13-5-14-7/h4-6,8-9H,3,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18) VLDVBZICYBVQHB-UHFFFAOYSA-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 Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Valine and derivatives 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 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 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 Valine or derivatives Aromatic heteromonocyclic compounds logp -2.25 ALOGPS logs -2.26 ALOGPS logp -3.9 ChemAxon pka_strongest_acidic 3.2 ChemAxon pka_strongest_basic 9.53 ChemAxon iupac 2-{[2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-3-methylbutanoic acid ChemAxon average_mass 254.2856 ChemAxon mono_mass 254.137890462 ChemAxon smiles CC(C)C(N=C(O)C(N)CC1=CN=CN1)C(O)=O ChemAxon formula C11H18N4O3 ChemAxon inchi InChI=1S/C11H18N4O3/c1-6(2)9(11(17)18)15-10(16)8(12)3-7-4-13-5-14-7/h4-6,8-9H,3,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18) ChemAxon inchikey VLDVBZICYBVQHB-UHFFFAOYSA-N ChemAxon polar_surface_area 124.59 ChemAxon refractivity 64.87 ChemAxon polarizability 26.18 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 4 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 13964 Specdb::CMs 40951 Specdb::MsMs 296821 Specdb::MsMs 296822 Specdb::MsMs 296823 Specdb::MsMs 338191 Specdb::MsMs 338192 Specdb::MsMs 338193 Milk By UPLC-Q-TOF Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 18218216 Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828