1.0 2018-07-17 17:22:23 UTC 2020-03-13 17:34:57 UTC BMDB0062245 BMDB62245 Leucyl-Leucine Leucyl-leucine, also known as L-L dipeptide or leu-leu, belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Leucyl-leucine is possibly soluble (in water) and a very strong basic compound (based on its pKa). L-L Dipeptide L-Leucyl-L-leucine Leu-leu Leucine leucine dipeptide Leucine-leucine dipeptide Leucylleucine LL Dipeptide Leucylleucine monohydrochloride, (L-leu-L-leu)-isomer Leucylleucine, (L-leu-D-leu)-isomer Leucylleucine, (D-leu-D-leu)-isomer Leucylleucine, (L-leu-L-leu)-isomer C12H24N2O3 244.3306 244.178692644 2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid leucyl-leucine 2883-36-5 CC(C)CC(N)C(O)=NC(CC(C)C)C(O)=O InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17) LCPYQJIKPJDLLB-UHFFFAOYSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptides Amino acids Carbonyl compounds Carboximidic acids Carboxylic acids Hydrocarbon derivatives Leucine and derivatives Methyl-branched fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Branched fatty acid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Fatty acid Fatty acyl 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 Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Aliphatic acyclic compounds a dipeptide peptide logp -1.38 ALOGPS logs -2.21 ALOGPS logp -0.26 ChemAxon pka_strongest_acidic 3.76 ChemAxon pka_strongest_basic 9.61 ChemAxon iupac 2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-4-methylpentanoic acid ChemAxon average_mass 244.3306 ChemAxon mono_mass 244.178692644 ChemAxon smiles CC(C)CC(N)C(O)=NC(CC(C)C)C(O)=O ChemAxon formula C12H24N2O3 ChemAxon inchi InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17) ChemAxon inchikey LCPYQJIKPJDLLB-UHFFFAOYSA-N ChemAxon polar_surface_area 95.91 ChemAxon refractivity 65.66 ChemAxon polarizability 27.69 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 24758 Specdb::CMs 29580 Specdb::CMs 40983 Specdb::CMs 100286 Specdb::CMs 117231 Specdb::CMs 926950 Specdb::CMs 926951 Specdb::CMs 926952 Specdb::CMs 926953 Specdb::CMs 926954 Specdb::CMs 926955 Specdb::CMs 926956 Specdb::CMs 926957 Specdb::CMs 926958 Specdb::CMs 926959 Specdb::CMs 926960 Specdb::CMs 926961 Specdb::CMs 926962 Specdb::CMs 926963 Specdb::NmrOneD 227577 Specdb::NmrOneD 227578 Specdb::NmrOneD 227579 Specdb::NmrOneD 227580 Specdb::NmrOneD 227581 Specdb::NmrOneD 227582 Specdb::NmrOneD 227583 Specdb::NmrOneD 227584 Specdb::NmrOneD 227585 Specdb::NmrOneD 227586 Specdb::NmrOneD 227587 Specdb::NmrOneD 227588 Specdb::NmrOneD 227589 Specdb::NmrOneD 227590 Specdb::NmrOneD 227591 Specdb::NmrOneD 227592 Specdb::NmrOneD 227593 Specdb::NmrOneD 227594 Specdb::NmrOneD 227595 Specdb::NmrOneD 227596 Specdb::MsMs 320806 Specdb::MsMs 320807 Specdb::MsMs 320808 Specdb::MsMs 368278 Specdb::MsMs 368279 Specdb::MsMs 368280 Specdb::MsMs 2241998 Specdb::MsMs 3442015 Specdb::MsMs 3442016 Specdb::MsMs 3442017 Specdb::MsMs 3442018 Specdb::MsMs 3442019 Specdb::MsMs 3442020 Milk Raw milk, by UPLC-Q-TOF MS E Xi X, Kwok LY, Wang Y, Ma C, Mi Z, Zhang H: Ultra-performance liquid chromatography-quadrupole-time of flight mass spectrometry MS(E)-based untargeted milk metabolomics in dairy cows with subclinical or clinical mastitis. J Dairy Sci. 2017 Jun;100(6):4884-4896. doi: 10.3168/jds.2016-11939. Epub 2017 Mar 23. 28342601 94244 C11332 6418 Xi X, Kwok LY, Wang Y, Ma C, Mi Z, Zhang H: Ultra-performance liquid chromatography-quadrupole-time of flight mass spectrometry MS(E)-based untargeted milk metabolomics in dairy cows with subclinical or clinical mastitis. J Dairy Sci. 2017 Jun;100(6):4884-4896. doi: 10.3168/jds.2016-11939. Epub 2017 Mar 23. 28342601