1.0 2020-03-03 19:34:31 UTC 2020-04-22 15:56:25 UTC BMDB0063992 BMDB63992 Lysylthreonine K-T KT L-Lys-L-THR Lysyl-threonine K-T Dipeptide KT Dipeptide L-Lysyl-L-threonine Lys-THR Lysine threonine dipeptide Lysine-threonine dipeptide N-L-Lysyl-L-threonine N-Lysylthreonine Lysylthreonine C10H21N3O4 247.295 247.153206168 (2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanoic acid (2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanoic acid 97791-84-9 C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O InChI=1S/C10H21N3O4/c1-6(14)8(10(16)17)13-9(15)7(12)4-2-3-5-11/h6-8,14H,2-5,11-12H2,1H3,(H,13,15)(H,16,17)/t6-,7+,8+/m1/s1 ZOKVLMBYDSIDKG-CSMHCCOUSA-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Secondary alcohols Secondary carboxylic acid amides Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Beta-hydroxy acid Carbonyl group Carboxamide group Carboxylic acid Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary alcohol Secondary carboxylic acid amide Short-chain hydroxy acid Aliphatic acyclic compounds dipeptide logp -3.28 ALOGPS logs -1.06 ALOGPS logp -4.3 ChemAxon pka_strongest_acidic 3.57 ChemAxon pka_strongest_basic 10.21 ChemAxon iupac (2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanoic acid ChemAxon average_mass 247.295 ChemAxon mono_mass 247.153206168 ChemAxon smiles C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O ChemAxon formula C10H21N3O4 ChemAxon inchi InChI=1S/C10H21N3O4/c1-6(14)8(10(16)17)13-9(15)7(12)4-2-3-5-11/h6-8,14H,2-5,11-12H2,1H3,(H,13,15)(H,16,17)/t6-,7+,8+/m1/s1 ChemAxon inchikey ZOKVLMBYDSIDKG-CSMHCCOUSA-N ChemAxon polar_surface_area 138.67 ChemAxon refractivity 61.07 ChemAxon polarizability 26.06 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 1 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::MsMs 2438434 Specdb::MsMs 2438435 Specdb::MsMs 2438436 Specdb::MsMs 2523396 Specdb::MsMs 2523397 Specdb::MsMs 2523398 Specdb::NmrOneD 156070 Specdb::NmrOneD 156071 Specdb::NmrOneD 156072 Specdb::NmrOneD 156073 Specdb::NmrOneD 156074 Specdb::NmrOneD 156075 Specdb::NmrOneD 156076 Specdb::NmrOneD 156077 Specdb::NmrOneD 156078 Specdb::NmrOneD 156079 Specdb::NmrOneD 156080 Specdb::NmrOneD 156081 Specdb::NmrOneD 156082 Specdb::NmrOneD 156083 Specdb::NmrOneD 156084 Specdb::NmrOneD 156085 Specdb::NmrOneD 156086 Specdb::NmrOneD 156087 Specdb::NmrOneD 156088 Specdb::NmrOneD 156089 Specdb::CMs 168193 FDB111984 5374285 7010718 73606