1.0 2020-04-06 11:37:06 UTC 2020-04-06 23:43:21 UTC FDB111850 Glutaminylmethionine C10H19N3O4S 277.34 277.109627278 (2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid (2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid CSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O InChI=1S/C10H19N3O4S/c1-18-5-4-7(10(16)17)13-9(15)6(11)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/t6-,7-/m0/s1 SIGGQAHUPUBWNF-BQBZGAKWSA-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 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 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 -2.64 ALOGPS logs -1.93 ALOGPS solubility 3.28e+00 g/l ALOGPS logp -3.9 ChemAxon pka_strongest_acidic 3.66 ChemAxon pka_strongest_basic 8.23 ChemAxon iupac (2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid ChemAxon average_mass 277.34 ChemAxon mono_mass 277.109627278 ChemAxon smiles CSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O ChemAxon formula C10H19N3O4S ChemAxon inchi InChI=1S/C10H19N3O4S/c1-18-5-4-7(10(16)17)13-9(15)6(11)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/t6-,7-/m0/s1 ChemAxon inchikey SIGGQAHUPUBWNF-BQBZGAKWSA-N ChemAxon polar_surface_area 135.51 ChemAxon refractivity 67.5 ChemAxon polarizability 28.36 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 131406 Specdb::CMs 139140 Specdb::MsMs 1322419 Specdb::MsMs 1322420 Specdb::MsMs 1322421 Specdb::MsMs 1436791 Specdb::MsMs 1436792 Specdb::MsMs 1436793 Specdb::MsMs 3223441 Specdb::MsMs 3223442 Specdb::MsMs 3223443 Specdb::MsMs 3223444 Specdb::MsMs 3223445 Specdb::MsMs 3223446 Specdb::NmrOneD 155150 Specdb::NmrOneD 155151 Specdb::NmrOneD 155152 Specdb::NmrOneD 155153 Specdb::NmrOneD 155154 Specdb::NmrOneD 155155 Specdb::NmrOneD 155156 Specdb::NmrOneD 155157 Specdb::NmrOneD 155158 Specdb::NmrOneD 155159 Specdb::NmrOneD 155160 Specdb::NmrOneD 155161 Specdb::NmrOneD 155162 Specdb::NmrOneD 155163 Specdb::NmrOneD 155164 Specdb::NmrOneD 155165 Specdb::NmrOneD 155166 Specdb::NmrOneD 155167 Specdb::NmrOneD 155168 Specdb::NmrOneD 155169 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