1.0 2020-03-03 19:41:51 UTC 2020-03-13 17:50:51 UTC BMDB0064118 BMDB64118 Tyrosylhydroxyproline Tyrosine hydroxyproline dipeptide L-Tyrosyl-L-hydroxyproline Tyr-hpro Tyrosine-hydroxyproline dipeptide Y-HP dipeptide YHP dipeptide Tyr-hyp L-Tyr-L-hyp Tyrosyl-hydroxyproline (2S,4R)-1-[(2S)-2-Amino-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate Tyrosylhydroxyproline C14H18N2O5 294.307 294.121571688 (2S,4R)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (2S,4R)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid 936346-34-8 N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O InChI=1S/C14H18N2O5/c15-11(5-8-1-3-9(17)4-2-8)13(19)16-7-10(18)6-12(16)14(20)21/h1-4,10-12,17-18H,5-7,15H2,(H,20,21)/t10-,11+,12+/m1/s1 FTWOPDCJCRFTHX-WOPDTQHZSA-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 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amphetamines and derivatives Aralkylamines Azacyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Proline and derivatives Pyrrolidine carboxylic acids Secondary alcohols Tertiary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Alcohol Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aralkylamine Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety 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 Organopnictogen compound Phenol Primary aliphatic amine Primary amine Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Secondary alcohol Tertiary carboxylic acid amide Aromatic heteromonocyclic compounds logp -2.21 ALOGPS logs -1.78 ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 3.43 ChemAxon pka_strongest_basic 8.01 ChemAxon iupac (2S,4R)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid ChemAxon average_mass 294.307 ChemAxon mono_mass 294.121571688 ChemAxon smiles N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O ChemAxon formula C14H18N2O5 ChemAxon inchi InChI=1S/C14H18N2O5/c15-11(5-8-1-3-9(17)4-2-8)13(19)16-7-10(18)6-12(16)14(20)21/h1-4,10-12,17-18H,5-7,15H2,(H,20,21)/t10-,11+,12+/m1/s1 ChemAxon inchikey FTWOPDCJCRFTHX-WOPDTQHZSA-N ChemAxon polar_surface_area 124.09 ChemAxon refractivity 73.4 ChemAxon polarizability 28.77 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 134786 Specdb::CMs 142520 Specdb::MsMs 2299677 Specdb::MsMs 2299678 Specdb::MsMs 2299679 Specdb::MsMs 2638450 Specdb::MsMs 2638451 Specdb::MsMs 2638452 Specdb::NmrOneD 14922 Specdb::NmrOneD 14923 Specdb::NmrOneD 14924 Specdb::NmrOneD 14925 Specdb::NmrOneD 14926 Specdb::NmrOneD 14927 Specdb::NmrOneD 14928 Specdb::NmrOneD 14929 Specdb::NmrOneD 14930 Specdb::NmrOneD 14931 Specdb::NmrOneD 14932 Specdb::NmrOneD 14933 Specdb::NmrOneD 14934 Specdb::NmrOneD 14935 Specdb::NmrOneD 14936 Specdb::NmrOneD 14937 Specdb::NmrOneD 14938 Specdb::NmrOneD 14939 Specdb::NmrOneD 14940 Specdb::NmrOneD 14941 FDB112110 43627780 63842847