1.0 2020-04-06 11:33:50 UTC 2025-11-19 03:10:50 UTC FDB111831 Cysteinyl-Methionine C8H16N2O3S2 252.354 252.060233768 2-(2-amino-3-sulfanylpropanamido)-4-(methylsulfanyl)butanoic acid 2-(2-amino-3-sulfanylpropanamido)-4-(methylsulfanyl)butanoic acid CSCCC(NC(=O)C(N)CS)C(O)=O InChI=1S/C8H16N2O3S2/c1-15-3-2-6(8(12)13)10-7(11)5(9)4-14/h5-6,14H,2-4,9H2,1H3,(H,10,11)(H,12,13) OOULJWDSSVOMHX-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. Peptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Alkylthiols Amino acids Carbonyl compounds Carboximidic acids Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Thia fatty acids Aliphatic acyclic compound Alkylthiol Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Dialkylthioether Fatty acid Fatty acyl Hydrocarbon derivative 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 Organosulfur compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Sulfenyl compound Thia fatty acid Thioether logp -1.35 ALOGPS logs -1.90 ALOGPS solubility 3.21e+00 g/l ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic 8.07 ChemAxon iupac 2-(2-amino-3-sulfanylpropanamido)-4-(methylsulfanyl)butanoic acid ChemAxon average_mass 252.354 ChemAxon mono_mass 252.060233768 ChemAxon smiles CSCCC(NC(=O)C(N)CS)C(O)=O ChemAxon formula C8H16N2O3S2 ChemAxon inchi InChI=1S/C8H16N2O3S2/c1-15-3-2-6(8(12)13)10-7(11)5(9)4-14/h5-6,14H,2-4,9H2,1H3,(H,10,11)(H,12,13) ChemAxon inchikey OOULJWDSSVOMHX-UHFFFAOYSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 62.61 ChemAxon polarizability 25.8 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22340 Specdb::CMs 40868 Specdb::CMs 174253 Specdb::MsMs 315622 Specdb::MsMs 315623 Specdb::MsMs 315624 Specdb::MsMs 361678 Specdb::MsMs 361679 Specdb::MsMs 361680 Specdb::MsMs 3223315 Specdb::MsMs 3223316 Specdb::MsMs 3223317 Specdb::MsMs 3223318 Specdb::MsMs 3223319 Specdb::MsMs 3223320 Specdb::NmrOneD 154910 Specdb::NmrOneD 154911 Specdb::NmrOneD 154912 Specdb::NmrOneD 154913 Specdb::NmrOneD 154914 Specdb::NmrOneD 154915 Specdb::NmrOneD 154916 Specdb::NmrOneD 154917 Specdb::NmrOneD 154918 Specdb::NmrOneD 154919 Specdb::NmrOneD 154920 Specdb::NmrOneD 154921 Specdb::NmrOneD 154922 Specdb::NmrOneD 154923 Specdb::NmrOneD 154924 Specdb::NmrOneD 154925 Specdb::NmrOneD 154926 Specdb::NmrOneD 154927 Specdb::NmrOneD 154928 Specdb::NmrOneD 154929 HMDB0028781 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