1.0 2020-03-03 19:42:12 UTC 2020-04-22 15:57:14 UTC BMDB0064124 BMDB64124 Tyrosyl-Proline L-Tyrosyl-L-proline Tyr-pro Tyrosine proline dipeptide Tyrosine-proline dipeptide Tyrosylproline Y-P dipeptide YP dipeptide 1-[2-Amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylate Tyrosyl-proline C14H18N2O4 278.3037 278.126657074 1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid tyr-pro NC(CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(O)=O InChI=1S/C14H18N2O4/c15-11(8-9-3-5-10(17)6-4-9)13(18)16-7-1-2-12(16)14(19)20/h3-6,11-12,17H,1-2,7-8,15H2,(H,19,20) VNYDHJARLHNEGA-UHFFFAOYSA-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-alpha amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Proline and derivatives Pyrrolidine carboxylic acids Tertiary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid 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-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 Tertiary carboxylic acid amide Aromatic heteromonocyclic compounds logp -1.72 ALOGPS logs -1.99 ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 3.55 ChemAxon pka_strongest_basic 8.01 ChemAxon iupac 1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid ChemAxon average_mass 278.3037 ChemAxon mono_mass 278.126657074 ChemAxon smiles NC(CC1=CC=C(O)C=C1)C(=O)N1CCCC1C(O)=O ChemAxon formula C14H18N2O4 ChemAxon inchi InChI=1S/C14H18N2O4/c15-11(8-9-3-5-10(17)6-4-9)13(18)16-7-1-2-12(16)14(19)20/h3-6,11-12,17H,1-2,7-8,15H2,(H,19,20) ChemAxon inchikey VNYDHJARLHNEGA-UHFFFAOYSA-N ChemAxon polar_surface_area 103.86 ChemAxon refractivity 72.08 ChemAxon polarizability 27.91 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 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 18389 Specdb::CMs 41144 Specdb::CMs 116240 Specdb::CMs 160581 Specdb::CMs 994174 Specdb::CMs 994175 Specdb::CMs 994176 Specdb::CMs 994177 Specdb::CMs 994178 Specdb::CMs 994179 Specdb::CMs 994180 Specdb::CMs 994181 Specdb::CMs 994182 Specdb::CMs 994183 Specdb::CMs 994184 Specdb::CMs 994185 Specdb::CMs 994186 Specdb::MsMs 306775 Specdb::MsMs 306776 Specdb::MsMs 306777 Specdb::MsMs 350521 Specdb::MsMs 350522 Specdb::MsMs 350523 Specdb::MsMs 3058165 Specdb::MsMs 3058166 Specdb::MsMs 3058167 Specdb::MsMs 3112925 Specdb::MsMs 3112926 Specdb::MsMs 3112927 Specdb::NmrOneD 156870 Specdb::NmrOneD 156871 Specdb::NmrOneD 156872 Specdb::NmrOneD 156873 Specdb::NmrOneD 156874 Specdb::NmrOneD 156875 Specdb::NmrOneD 156876 Specdb::NmrOneD 156877 Specdb::NmrOneD 156878 Specdb::NmrOneD 156879 Specdb::NmrOneD 156880 Specdb::NmrOneD 156881 Specdb::NmrOneD 156882 Specdb::NmrOneD 156883 Specdb::NmrOneD 156884 Specdb::NmrOneD 156885 Specdb::NmrOneD 156886 Specdb::NmrOneD 156887 Specdb::NmrOneD 156888 Specdb::NmrOneD 156889 FDB112116 10441210 13055260