1.0 2020-03-03 19:33:08 UTC 2020-04-22 15:56:16 UTC BMDB0063970 BMDB63970 Leucyl-Methionine L-Leucyl-L-methionine L-m Dipeptide Leu-met Leucine methionine dipeptide Leucine-methionine dipeptide Leucylmethionine LM Dipeptide 2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]-4-(methylsulfanyl)butanoate 2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]-4-(methylsulphanyl)butanoate 2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]-4-(methylsulphanyl)butanoic acid C11H22N2O3S 262.369 262.13511327 2-(2-amino-4-methylpentanamido)-4-(methylsulfanyl)butanoic acid leu-met CSCCC(NC(=O)C(N)CC(C)C)C(O)=O InChI=1S/C11H22N2O3S/c1-7(2)6-8(12)10(14)13-9(11(15)16)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16) NTISAKGPIGTIJJ-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 Branched fatty acids Carbonyl compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Leucine and derivatives Methionine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Sulfenyl compounds Thia fatty acids 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 Dialkylthioether Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative Leucine or derivatives Methionine or derivatives 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 Organosulfur compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Sulfenyl compound Thia fatty acid Thioether Aliphatic acyclic compounds logp -0.30 ALOGPS logs -2.33 ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 3.98 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac 2-(2-amino-4-methylpentanamido)-4-(methylsulfanyl)butanoic acid ChemAxon average_mass 262.369 ChemAxon mono_mass 262.13511327 ChemAxon smiles CSCCC(NC(=O)C(N)CC(C)C)C(O)=O ChemAxon formula C11H22N2O3S ChemAxon inchi InChI=1S/C11H22N2O3S/c1-7(2)6-8(12)10(14)13-9(11(15)16)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16) ChemAxon inchikey NTISAKGPIGTIJJ-UHFFFAOYSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 68.56 ChemAxon polarizability 28.65 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 4 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 12541 Specdb::CMs 40985 Specdb::CMs 161163 Specdb::MsMs 293605 Specdb::MsMs 293606 Specdb::MsMs 293607 Specdb::MsMs 334111 Specdb::MsMs 334112 Specdb::MsMs 334113 Specdb::MsMs 2699028 Specdb::MsMs 2699029 Specdb::MsMs 2699030 Specdb::MsMs 2983751 Specdb::MsMs 2983752 Specdb::MsMs 2983753 Specdb::NmrOneD 106358 Specdb::NmrOneD 106359 Specdb::NmrOneD 106360 Specdb::NmrOneD 106361 Specdb::NmrOneD 106362 Specdb::NmrOneD 106363 Specdb::NmrOneD 106364 Specdb::NmrOneD 106365 Specdb::NmrOneD 106366 Specdb::NmrOneD 106367 Specdb::NmrOneD 106368 Specdb::NmrOneD 106369 Specdb::NmrOneD 106370 Specdb::NmrOneD 106371 Specdb::NmrOneD 106372 Specdb::NmrOneD 106373 Specdb::NmrOneD 106374 Specdb::NmrOneD 106375 Specdb::NmrOneD 106376 Specdb::NmrOneD 106377 FDB111962 105706 118276