1.0 2020-04-06 12:01:33 UTC 2025-11-19 03:11:03 UTC FDB111991 Methionyl-Cysteine C8H16N2O3S2 252.354 252.060233768 2-[2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid 2-[2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid CSCCC(N)C(=O)NC(CS)C(O)=O InChI=1S/C8H16N2O3S2/c1-15-3-2-5(9)7(11)10-6(4-14)8(12)13/h5-6,14H,2-4,9H2,1H3,(H,10,11)(H,12,13) NDYNTQWSJLPEMK-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 Alkylthiols Alpha amino acid amides Amino acids Carbonyl compounds Carboxylic acids Cysteine and derivatives Dialkylthioethers Hydrocarbon 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 Aliphatic acyclic compound Alkylthiol Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Cysteine or derivatives Dialkylthioether Fatty acyl Fatty amide Hydrocarbon derivative 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 Thioether logp -1.26 ALOGPS logs -1.93 ALOGPS solubility 2.97e+00 g/l ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 3.74 ChemAxon pka_strongest_basic 8.41 ChemAxon iupac 2-[2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid ChemAxon average_mass 252.354 ChemAxon mono_mass 252.060233768 ChemAxon smiles CSCCC(N)C(=O)NC(CS)C(O)=O ChemAxon formula C8H16N2O3S2 ChemAxon inchi InChI=1S/C8H16N2O3S2/c1-15-3-2-5(9)7(11)10-6(4-14)8(12)13/h5-6,14H,2-4,9H2,1H3,(H,10,11)(H,12,13) ChemAxon inchikey NDYNTQWSJLPEMK-UHFFFAOYSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 62.61 ChemAxon polarizability 26.21 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22520 Specdb::CMs 41017 Specdb::CMs 148313 Specdb::NmrOneD 156170 Specdb::NmrOneD 156171 Specdb::NmrOneD 156172 Specdb::NmrOneD 156173 Specdb::NmrOneD 156174 Specdb::NmrOneD 156175 Specdb::NmrOneD 156176 Specdb::NmrOneD 156177 Specdb::NmrOneD 156178 Specdb::NmrOneD 156179 Specdb::NmrOneD 156180 Specdb::NmrOneD 156181 Specdb::NmrOneD 156182 Specdb::NmrOneD 156183 Specdb::NmrOneD 156184 Specdb::NmrOneD 156185 Specdb::NmrOneD 156186 Specdb::NmrOneD 156187 Specdb::NmrOneD 156188 Specdb::NmrOneD 156189 Specdb::MsMs 316030 Specdb::MsMs 316031 Specdb::MsMs 316032 Specdb::MsMs 362176 Specdb::MsMs 362177 Specdb::MsMs 362178 Specdb::MsMs 2403530 Specdb::MsMs 2403531 Specdb::MsMs 2403532 Specdb::MsMs 2535488 Specdb::MsMs 2535489 Specdb::MsMs 2535490 HMDB0028970 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823