1.0 2020-04-03 16:45:22 UTC 2025-11-19 03:08:16 UTC FDB098208 Histidinyl-Valine C17H19N5O3 341.3645 341.148789499 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 NC(CC1=CN=CN1)C(O)=NC(CC1=CNC2=CC=CC=C12)C(O)=O InChI=1S/C17H19N5O3/c18-13(6-11-8-19-9-21-11)16(23)22-15(17(24)25)5-10-7-20-14-4-2-1-3-12(10)14/h1-4,7-9,13,15,20H,5-6,18H2,(H,19,21)(H,22,23)(H,24,25) FBTYOQIYBULKEH-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. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds 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 logp -2.25 ALOGPS logs -2.26 ALOGPS solubility 1.39e+00 g/l 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 341.3645 ChemAxon mono_mass 341.148789499 ChemAxon smiles NC(CC1=CN=CN1)C(O)=NC(CC1=CNC2=CC=CC=C12)C(O)=O ChemAxon formula C17H19N5O3 ChemAxon inchi InChI=1S/C17H19N5O3/c18-13(6-11-8-19-9-21-11)16(23)22-15(17(24)25)5-10-7-20-14-4-2-1-3-12(10)14/h1-4,7-9,13,15,20H,5-6,18H2,(H,19,21)(H,22,23)(H,24,25) ChemAxon inchikey FBTYOQIYBULKEH-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 Specdb::CMs 13964 Specdb::CMs 40951 Specdb::MsMs 296821 Specdb::MsMs 296822 Specdb::MsMs 296823 Specdb::MsMs 338191 Specdb::MsMs 338192 Specdb::MsMs 338193 HMDB0028898 Milk (Cow) Type 2 specific