1.0 2020-03-03 19:39:50 UTC 2020-04-22 15:56:59 UTC BMDB0064084 BMDB64084 Threonylserine H-THR-Ser-OH L-THR-L-Ser T-S TS L-Threoninyl-L-serine L-Threonyl-L-serine N-L-Threoninyl-L-serine N-L-Threonyl-L-serine N-Threoninylserine N-Threonylserine T-S Dipeptide TS Dipeptide THR-Ser Threonine serine dipeptide Threonine-serine dipeptide Threoninyl-serine Threoninylserine Threonyl-serine Threonylserine C7H14N2O5 206.198 206.090271559 (2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanoic acid (2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanoic acid 61043-86-5 C[C@@H](O)[C@H](N)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C7H14N2O5/c1-3(11)5(8)6(12)9-4(2-10)7(13)14/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)/t3-,4+,5+/m1/s1 GXDLGHLJTHMDII-WISUUJSJSA-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Primary alcohols Secondary alcohols Secondary carboxylic acid amides Serine and derivatives Alcohol Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Beta-hydroxy acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Fatty acyl Fatty amide Hydrocarbon derivative Hydroxy acid Monocarboxylic acid 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 Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary aliphatic amine Primary amine Secondary alcohol Secondary carboxylic acid amide Serine or derivatives Aliphatic acyclic compounds dipeptide logp -3.15 ALOGPS logs -0.43 ALOGPS logp -5.1 ChemAxon pka_strongest_acidic 3.41 ChemAxon pka_strongest_basic 7.92 ChemAxon iupac (2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanoic acid ChemAxon average_mass 206.198 ChemAxon mono_mass 206.090271559 ChemAxon smiles C[C@@H](O)[C@H](N)C(=O)N[C@@H](CO)C(O)=O ChemAxon formula C7H14N2O5 ChemAxon inchi InChI=1S/C7H14N2O5/c1-3(11)5(8)6(12)9-4(2-10)7(13)14/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)/t3-,4+,5+/m1/s1 ChemAxon inchikey GXDLGHLJTHMDII-WISUUJSJSA-N ChemAxon polar_surface_area 132.88 ChemAxon refractivity 45.3 ChemAxon polarizability 19.35 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 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 146719 Specdb::CMs 155893 Specdb::CMs 279533 Specdb::NmrOneD 156630 Specdb::NmrOneD 156631 Specdb::NmrOneD 156632 Specdb::NmrOneD 156633 Specdb::NmrOneD 156634 Specdb::NmrOneD 156635 Specdb::NmrOneD 156636 Specdb::NmrOneD 156637 Specdb::NmrOneD 156638 Specdb::NmrOneD 156639 Specdb::NmrOneD 156640 Specdb::NmrOneD 156641 Specdb::NmrOneD 156642 Specdb::NmrOneD 156643 Specdb::NmrOneD 156644 Specdb::NmrOneD 156645 Specdb::NmrOneD 156646 Specdb::NmrOneD 156647 Specdb::NmrOneD 156648 Specdb::NmrOneD 156649 Specdb::MsMs 2289783 Specdb::MsMs 2289784 Specdb::MsMs 2289785 Specdb::MsMs 2648982 Specdb::MsMs 2648983 Specdb::MsMs 2648984 FDB112076 5379086 7016064 73664