1.0 2020-04-03 16:48:34 UTC 2025-11-19 03:08:20 UTC FDB098234 Valyl-Leucine C11H23N5O3 273.332 273.180089627 2-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-4-methylpentanoic acid 2-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-4-methylpentanoic acid CC(C)C(N)C(O)=NC(CCCNC(N)=N)C(O)=O InChI=1S/C11H23N5O3/c1-6(2)8(12)9(17)16-7(10(18)19)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15) IBIDRSSEHFLGSD-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 Aliphatic acyclic compounds Alpha amino acid amides Amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Leucine and derivatives Methyl-branched fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Valine and derivatives Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Branched fatty acid Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative Leucine or derivatives Methyl-branched fatty acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Valine or derivatives logp -2.14 ALOGPS logs -2.14 ALOGPS solubility 1.67e+00 g/l ALOGPS logp -0.62 ChemAxon pka_strongest_acidic 3.7 ChemAxon pka_strongest_basic 9.68 ChemAxon iupac 2-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-4-methylpentanoic acid ChemAxon average_mass 273.332 ChemAxon mono_mass 273.180089627 ChemAxon smiles CC(C)C(N)C(O)=NC(CCCNC(N)=N)C(O)=O ChemAxon formula C11H23N5O3 ChemAxon inchi InChI=1S/C11H23N5O3/c1-6(2)8(12)9(17)16-7(10(18)19)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15) ChemAxon inchikey IBIDRSSEHFLGSD-UHFFFAOYSA-N ChemAxon polar_surface_area 95.91 ChemAxon refractivity 60.99 ChemAxon polarizability 25.43 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16924 Specdb::CMs 41161 Specdb::MsMs 303442 Specdb::MsMs 303443 Specdb::MsMs 303444 Specdb::MsMs 346390 Specdb::MsMs 346391 Specdb::MsMs 346392 HMDB0029131 Milk (Cow) Type 2 specific