1.0 2020-03-03 19:35:29 UTC 2020-04-22 15:56:31 UTC BMDB0064009 BMDB64009 Methionyl-Phenylalanine L-Methionyl-L-phenylalanine m-F Dipeptide Met-phe Methionine phenylalanine dipeptide Methionine-phenylalanine dipeptide Methionylphenylalanine MF Dipeptide 2-{[2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-3-phenylpropanoate 2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-3-phenylpropanoate 2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-3-phenylpropanoic acid C14H20N2O3S 296.385 296.119463206 2-[2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid 2-[2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid CSCCC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O InChI=1S/C14H20N2O3S/c1-20-8-7-11(15)13(17)16-12(14(18)19)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19) HGCNKOLVKRAVHD-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 Amino acids Amphetamines and derivatives Carbonyl compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Methionine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Secondary carboxylic acid amides Sulfenyl compounds 3-phenylpropanoic-acid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Dialkylthioether Fatty acyl Fatty amide Hydrocarbon derivative Methionine or derivatives Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Secondary carboxylic acid amide Sulfenyl compound Thioether Aromatic homomonocyclic compounds logp 0.00 ALOGPS logs -2.95 ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 3.83 ChemAxon pka_strongest_basic 8.42 ChemAxon iupac 2-[2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid ChemAxon average_mass 296.385 ChemAxon mono_mass 296.119463206 ChemAxon smiles CSCCC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O ChemAxon formula C14H20N2O3S ChemAxon inchi InChI=1S/C14H20N2O3S/c1-20-8-7-11(15)13(17)16-12(14(18)19)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19) ChemAxon inchikey HGCNKOLVKRAVHD-UHFFFAOYSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 79.5 ChemAxon polarizability 31.98 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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::CMs 10956 Specdb::CMs 41026 Specdb::CMs 147758 Specdb::MsMs 290113 Specdb::MsMs 290114 Specdb::MsMs 290115 Specdb::MsMs 329731 Specdb::MsMs 329732 Specdb::MsMs 329733 Specdb::MsMs 2288967 Specdb::MsMs 2288968 Specdb::MsMs 2288969 Specdb::MsMs 2649855 Specdb::MsMs 2649856 Specdb::MsMs 2649857 Specdb::NmrOneD 106758 Specdb::NmrOneD 106759 Specdb::NmrOneD 106760 Specdb::NmrOneD 106761 Specdb::NmrOneD 106762 Specdb::NmrOneD 106763 Specdb::NmrOneD 106764 Specdb::NmrOneD 106765 Specdb::NmrOneD 106766 Specdb::NmrOneD 106767 Specdb::NmrOneD 106768 Specdb::NmrOneD 106769 Specdb::NmrOneD 106770 Specdb::NmrOneD 106771 Specdb::NmrOneD 106772 Specdb::NmrOneD 106773 Specdb::NmrOneD 106774 Specdb::NmrOneD 106775 Specdb::NmrOneD 106776 Specdb::NmrOneD 106777 FDB112001 90404 100048