1.0 2020-04-06 11:40:13 UTC 2020-04-06 23:43:21 UTC FDB111868 Glutamylmethionine C10H18N2O5S 278.32 278.093642862 (4S)-4-amino-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid (4S)-4-amino-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid CSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-9(15)6(11)2-3-8(13)14/h6-7H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7-/m0/s1 SXGAGTVDWKQYCX-BQBZGAKWSA-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 Alpha amino acid amides Amino acids Amino fatty acids Carbonyl compounds Carboxylic acids Dialkylthioethers Dicarboxylic acids and derivatives Glutamic acid and derivatives Hydrocarbon derivatives Methionine and derivatives Monoalkylamines N-acyl amines N-acyl-L-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 Amino fatty acid Carbonyl group Carboxamide group Carboxylic acid Dialkylthioether Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Glutamic acid or derivatives Hydrocarbon derivative Methionine 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 Organosulfur compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Sulfenyl compound Thia fatty acid Thioether dipeptide logp -2.87 ALOGPS logs -1.86 ALOGPS solubility 3.86e+00 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 3.35 ChemAxon pka_strongest_basic 8.45 ChemAxon iupac (4S)-4-amino-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid ChemAxon average_mass 278.32 ChemAxon mono_mass 278.093642862 ChemAxon smiles CSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O ChemAxon formula C10H18N2O5S ChemAxon inchi InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-9(15)6(11)2-3-8(13)14/h6-7H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7-/m0/s1 ChemAxon inchikey SXGAGTVDWKQYCX-BQBZGAKWSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 65.67 ChemAxon polarizability 27.98 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 146452 Specdb::MsMs 1293823 Specdb::MsMs 1293824 Specdb::MsMs 1293825 Specdb::MsMs 1408498 Specdb::MsMs 1408499 Specdb::MsMs 1408500 Specdb::MsMs 3223540 Specdb::MsMs 3223541 Specdb::MsMs 3223542 Specdb::MsMs 3223543 Specdb::MsMs 3223544 Specdb::MsMs 3223545 Specdb::NmrOneD 105518 Specdb::NmrOneD 105519 Specdb::NmrOneD 105520 Specdb::NmrOneD 105521 Specdb::NmrOneD 105522 Specdb::NmrOneD 105523 Specdb::NmrOneD 105524 Specdb::NmrOneD 105525 Specdb::NmrOneD 105526 Specdb::NmrOneD 105527 Specdb::NmrOneD 105528 Specdb::NmrOneD 105529 Specdb::NmrOneD 105530 Specdb::NmrOneD 105531 Specdb::NmrOneD 105532 Specdb::NmrOneD 105533 Specdb::NmrOneD 105534 Specdb::NmrOneD 105535 Specdb::NmrOneD 105536 Specdb::NmrOneD 105537 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