1.0 2020-03-03 19:38:12 UTC 2020-04-22 15:56:49 UTC BMDB0064056 BMDB64056 Serylhydroxyproline Serine hydroxyproline dipeptide L-Serinyl-L-hydroxyproline S-HP Dipeptide Ser-hpro Serine-hydroxyproline dipeptide Serinylhydroxyproline SHP Dipeptide Ser-hyp L-Ser-L-hyp Serinyl-hydroxyproline L-Seryl-(4R)-4-hydroxy-L-proline L-Seryl-L-hydroxyproline Seryl-hydroxyproline (2S,4R)-1-[(2S)-2-Amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylate N-L-Serinyl-L-hydroxyproline N-L-Seryl-L-hydroxyproline N-Serinylhydroxyproline N-Serylhydroxyproline Serylhydroxyproline C8H14N2O5 218.209 218.090271559 (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid 90965-81-4 N[C@@H](CO)C(=O)N1C[C@H](O)C[C@H]1C(O)=O InChI=1S/C8H14N2O5/c9-5(3-11)7(13)10-2-4(12)1-6(10)8(14)15/h4-6,11-12H,1-3,9H2,(H,14,15)/t4-,5+,6+/m1/s1 IISAHBYOIFITKV-SRQIZXRXSA-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 Azacyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Primary alcohols Proline and derivatives Pyrrolidine carboxylic acids Secondary alcohols Tertiary carboxylic acid amides Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Azacycle Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid N-acylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Primary alcohol Primary aliphatic amine Primary amine Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Secondary alcohol Tertiary carboxylic acid amide Aliphatic heteromonocyclic compounds logp -3.29 ALOGPS logs -0.06 ALOGPS logp -5.3 ChemAxon pka_strongest_acidic 3.37 ChemAxon pka_strongest_basic 7.84 ChemAxon iupac (2S,4R)-1-[(2S)-2-amino-3-hydroxypropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid ChemAxon average_mass 218.209 ChemAxon mono_mass 218.090271559 ChemAxon smiles N[C@@H](CO)C(=O)N1C[C@H](O)C[C@H]1C(O)=O ChemAxon formula C8H14N2O5 ChemAxon inchi InChI=1S/C8H14N2O5/c9-5(3-11)7(13)10-2-4(12)1-6(10)8(14)15/h4-6,11-12H,1-3,9H2,(H,14,15)/t4-,5+,6+/m1/s1 ChemAxon inchikey IISAHBYOIFITKV-SRQIZXRXSA-N ChemAxon polar_surface_area 124.09 ChemAxon refractivity 48.35 ChemAxon polarizability 20.32 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 2307954 Specdb::MsMs 2307955 Specdb::MsMs 2307956 Specdb::MsMs 2655104 Specdb::MsMs 2655105 Specdb::MsMs 2655106 Specdb::CMs 152024 Specdb::NmrOneD 107258 Specdb::NmrOneD 107259 Specdb::NmrOneD 107260 Specdb::NmrOneD 107261 Specdb::NmrOneD 107262 Specdb::NmrOneD 107263 Specdb::NmrOneD 107264 Specdb::NmrOneD 107265 Specdb::NmrOneD 107266 Specdb::NmrOneD 107267 Specdb::NmrOneD 107268 Specdb::NmrOneD 107269 Specdb::NmrOneD 107270 Specdb::NmrOneD 107271 Specdb::NmrOneD 107272 Specdb::NmrOneD 107273 Specdb::NmrOneD 107274 Specdb::NmrOneD 107275 Specdb::NmrOneD 107276 Specdb::NmrOneD 107277 FDB112048 110558645 25227054