1.0 2020-03-03 19:37:34 UTC 2020-04-22 15:56:45 UTC BMDB0064045 BMDB64045 Prolyl-Tyrosine L-Prolyl-L-tyrosine p-Y dipeptide Pro-tyr Proline tyrosine dipeptide Proline-tyrosine dipeptide Prolyltyrosine PY dipeptide L-Prolyl-L-tyrosine monohydrate 2-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}-3-(4-hydroxyphenyl)propanoate Prolyl-tyrosine C14H18N2O4 278.3037 278.126657074 3-(4-hydroxyphenyl)-2-[(pyrrolidin-2-yl)formamido]propanoic acid 3-(4-hydroxyphenyl)-2-(pyrrolidin-2-ylformamido)propanoic acid OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C1CCCN1 InChI=1S/C14H18N2O4/c17-10-5-3-9(4-6-10)8-12(14(19)20)16-13(18)11-2-1-7-15-11/h3-6,11-12,15,17H,1-2,7-8H2,(H,16,18)(H,19,20) OIDKVWTWGDWMHY-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 Alpha amino acid amides Alpha amino acids Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylamines Dicarboximides Glutamine and derivatives Heterocyclic fatty acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-unsubstituted carboxylic acid imides Organic oxides Organopnictogen compounds Proline and derivatives Pyrrolidinecarboxamides Aliphatic heteromonocyclic compound Alpha-amino acid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Azacycle Carbonyl group Carboxylic acid Carboxylic acid imide Carboxylic acid imide, n-unsubstituted Dicarboximide Fatty acid Fatty acyl Glutamine or derivatives Heterocyclic fatty acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary aliphatic amine Secondary amine Aliphatic heteromonocyclic compounds logp -1.29 ALOGPS logs -2.37 ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 3.49 ChemAxon pka_strongest_basic 9.98 ChemAxon iupac 3-(4-hydroxyphenyl)-2-[(pyrrolidin-2-yl)formamido]propanoic acid ChemAxon average_mass 278.3037 ChemAxon mono_mass 278.126657074 ChemAxon smiles OC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C1CCCN1 ChemAxon formula C14H18N2O4 ChemAxon inchi InChI=1S/C14H18N2O4/c17-10-5-3-9(4-6-10)8-12(14(19)20)16-13(18)11-2-1-7-15-11/h3-6,11-12,15,17H,1-2,7-8H2,(H,16,18)(H,19,20) ChemAxon inchikey OIDKVWTWGDWMHY-UHFFFAOYSA-N ChemAxon polar_surface_area 98.66 ChemAxon refractivity 71.96 ChemAxon polarizability 28.82 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 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 11983 Specdb::CMs 41064 Specdb::CMs 151543 Specdb::MsMs 292396 Specdb::MsMs 292397 Specdb::MsMs 292398 Specdb::MsMs 332572 Specdb::MsMs 332573 Specdb::MsMs 332574 Specdb::MsMs 2820762 Specdb::MsMs 2820763 Specdb::MsMs 2820764 Specdb::MsMs 2858246 Specdb::MsMs 2858247 Specdb::MsMs 2858248 Specdb::NmrOneD 14602 Specdb::NmrOneD 14603 Specdb::NmrOneD 14604 Specdb::NmrOneD 14605 Specdb::NmrOneD 14606 Specdb::NmrOneD 14607 Specdb::NmrOneD 14608 Specdb::NmrOneD 14609 Specdb::NmrOneD 14610 Specdb::NmrOneD 14611 Specdb::NmrOneD 14612 Specdb::NmrOneD 14613 Specdb::NmrOneD 14614 Specdb::NmrOneD 14615 Specdb::NmrOneD 14616 Specdb::NmrOneD 14617 Specdb::NmrOneD 14618 Specdb::NmrOneD 14619 Specdb::NmrOneD 14620 Specdb::NmrOneD 14621 FDB112037 11396295 22395834