1.0 2018-07-17 17:50:38 UTC 2020-03-13 17:36:56 UTC BMDB0062571 BMDB62571 Phe-Phe-Pro-Arg Phe-phe-pro-arg belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Phe-phe-pro-arg is possibly soluble (in water) and a very strong basic compound (based on its pKa). 2-{[(1-{2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-3-phenylpropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-5-carbamimidamidopentanoate C29H39N7O5 565.675 565.301267384 2-{[(1-{2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-3-phenylpropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-5-carbamimidamidopentanoic acid 2-{[(1-{2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-3-phenylpropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-5-carbamimidamidopentanoic acid NC(CC1=CC=CC=C1)C(O)=NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(O)=NC(CCCNC(N)=N)C(O)=O InChI=1S/C29H39N7O5/c30-21(17-19-9-3-1-4-10-19)25(37)35-23(18-20-11-5-2-6-12-20)27(39)36-16-8-14-24(36)26(38)34-22(28(40)41)13-7-15-33-29(31)32/h1-6,9-12,21-24H,7-8,13-18,30H2,(H,34,38)(H,35,37)(H,40,41)(H4,31,32,33) ANAFHSULEWIOPZ-UHFFFAOYSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides Alpha amino acid amides Amino acids Amphetamines and derivatives Aralkylamines Azacyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Fatty amides Guanidines Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids N-acylpyrrolidines Organic oxides Phenylalanine and derivatives Proline and derivatives Propargyl-type 1,3-dipolar organic compounds Pyrrolidinecarboxamides Secondary carboxylic acid amides Tertiary carboxylic acid amides Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aralkylamine Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Fatty acyl Fatty amide Guanidine Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acylpyrrolidine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Proline or derivatives Propargyl-type 1,3-dipolar organic compound Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary carboxylic acid amide Tertiary carboxylic acid amide Aromatic heteromonocyclic compounds logp -1.00 ALOGPS logs -4.20 ALOGPS logp -2 ChemAxon pka_strongest_acidic 3.16 ChemAxon pka_strongest_basic 12.04 ChemAxon iupac 2-{[(1-{2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-3-phenylpropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-5-carbamimidamidopentanoic acid ChemAxon average_mass 565.675 ChemAxon mono_mass 565.301267384 ChemAxon smiles NC(CC1=CC=CC=C1)C(O)=NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(O)=NC(CCCNC(N)=N)C(O)=O ChemAxon formula C29H39N7O5 ChemAxon inchi InChI=1S/C29H39N7O5/c30-21(17-19-9-3-1-4-10-19)25(37)35-23(18-20-11-5-2-6-12-20)27(39)36-16-8-14-24(36)26(38)34-22(28(40)41)13-7-15-33-29(31)32/h1-6,9-12,21-24H,7-8,13-18,30H2,(H,34,38)(H,35,37)(H,40,41)(H4,31,32,33) ChemAxon inchikey ANAFHSULEWIOPZ-UHFFFAOYSA-N ChemAxon polar_surface_area 210.71 ChemAxon refractivity 163.79 ChemAxon polarizability 60.55 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1272376 Specdb::MsMs 1272377 Specdb::MsMs 1272378 Specdb::MsMs 1387375 Specdb::MsMs 1387376 Specdb::MsMs 1387377 Specdb::MsMs 3610723 Specdb::MsMs 3610724 Specdb::MsMs 3610725 Specdb::MsMs 3610726 Specdb::MsMs 3610727 Specdb::MsMs 3610728 Milk Raw milk, by UPLC-Q-TOF MS E Xi X, Kwok LY, Wang Y, Ma C, Mi Z, Zhang H: Ultra-performance liquid chromatography-quadrupole-time of flight mass spectrometry MS(E)-based untargeted milk metabolomics in dairy cows with subclinical or clinical mastitis. J Dairy Sci. 2017 Jun;100(6):4884-4896. doi: 10.3168/jds.2016-11939. Epub 2017 Mar 23. 28342601 FDB098396 16685227 20006954 Xi X, Kwok LY, Wang Y, Ma C, Mi Z, Zhang H: Ultra-performance liquid chromatography-quadrupole-time of flight mass spectrometry MS(E)-based untargeted milk metabolomics in dairy cows with subclinical or clinical mastitis. J Dairy Sci. 2017 Jun;100(6):4884-4896. doi: 10.3168/jds.2016-11939. Epub 2017 Mar 23. 28342601