1.0 2020-03-03 19:27:50 UTC 2020-04-22 15:55:41 UTC BMDB0063878 BMDB63878 Glutamylthreonine E-T ET L-Glu-L-THR e-T Dipeptide ET dipeptide Glu-THR Glutamate threonine dipeptide Glutamate-threonine dipeptide L-Glutamyl-L-threonine Α-glu-THR Α-L-glu-L-THR Α-glutamylthreonine Α-L-glutamyl-L-threonine L-Α-glutamyl-L-threonine N-Α-glutamylthreonine N-Α-L-glutamyl-L-threonine N-L-Α-glutamylthreonine N-L-Α-glutamyl-L-threonine alpha-Glu-THR alpha-L-Glu-L-THR alpha-Glutamylthreonine alpha-L-Glutamyl-L-threonine L-alpha-Glutamyl-L-threonine N-alpha-Glutamylthreonine N-alpha-L-Glutamyl-L-threonine N-L-alpha-Glutamylthreonine N-L-alpha-Glutamyl-L-threonine N-Glutamylthreonine N-L-Glutamyl-L-threonine Glutamyl-threonine Glutamic acid threonine dipeptide Glutamic acid-threonine dipeptide Glutamylthreonine C9H16N2O6 248.235 248.100836243 (4S)-4-amino-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid (4S)-4-amino-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid 6875-80-5 C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O InChI=1S/C9H16N2O6/c1-4(12)7(9(16)17)11-8(15)5(10)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/t4-,5+,7+/m1/s1 JSIQVRIXMINMTA-ZDLURKLDSA-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 Amino fatty acids Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Glutamic acid and derivatives Hydrocarbon derivatives Hydroxy fatty acids Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Secondary alcohols Secondary carboxylic acid amides Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amino fatty acid Beta-hydroxy acid Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Glutamic acid or derivatives Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid 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 Primary aliphatic amine Primary amine Secondary alcohol Secondary carboxylic acid amide Short-chain hydroxy acid Aliphatic acyclic compounds dipeptide logp -3.38 ALOGPS logs -1.11 ALOGPS logp -4.7 ChemAxon pka_strongest_acidic 3.2 ChemAxon pka_strongest_basic 8.45 ChemAxon iupac (4S)-4-amino-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid ChemAxon average_mass 248.235 ChemAxon mono_mass 248.100836243 ChemAxon smiles C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O ChemAxon formula C9H16N2O6 ChemAxon inchi InChI=1S/C9H16N2O6/c1-4(12)7(9(16)17)11-8(15)5(10)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/t4-,5+,7+/m1/s1 ChemAxon inchikey JSIQVRIXMINMTA-ZDLURKLDSA-N ChemAxon polar_surface_area 149.95 ChemAxon refractivity 54.55 ChemAxon polarizability 23.49 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 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 135403 Specdb::CMs 143137 Specdb::MsMs 1264075 Specdb::MsMs 1264076 Specdb::MsMs 1264077 Specdb::MsMs 1379161 Specdb::MsMs 1379162 Specdb::MsMs 1379163 Specdb::MsMs 3223558 Specdb::MsMs 3223559 Specdb::MsMs 3223560 Specdb::MsMs 3223561 Specdb::MsMs 3223562 Specdb::MsMs 3223563 Specdb::NmrOneD 155290 Specdb::NmrOneD 155291 Specdb::NmrOneD 155292 Specdb::NmrOneD 155293 Specdb::NmrOneD 155294 Specdb::NmrOneD 155295 Specdb::NmrOneD 155296 Specdb::NmrOneD 155297 Specdb::NmrOneD 155298 Specdb::NmrOneD 155299 Specdb::NmrOneD 155300 Specdb::NmrOneD 155301 Specdb::NmrOneD 155302 Specdb::NmrOneD 155303 Specdb::NmrOneD 155304 Specdb::NmrOneD 155305 Specdb::NmrOneD 155306 Specdb::NmrOneD 155307 Specdb::NmrOneD 155308 Specdb::NmrOneD 155309 FDB111871 5365660 6998031 73510