1.0 2020-03-10 17:00:24 UTC 2020-03-13 22:42:10 UTC BMDB0096051 BMDB96051 Leucylphenylalanine L-F L-Leu-L-phe LF L-F Dipeptide L-Leucyl-L-phenylalanine LF Dipeptide Leu-phe Leucine phenylalanine dipeptide Leucine-phenylalanine dipeptide Leucyl-phenylalanine N-L-Leucyl-L-phenylalanine N-Leucyl-3-phenylalanine N-Leucylphenylalanine Leucylphenylalanine C15H22N2O3 278.352 278.163042576 (2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-phenylpropanoic acid (2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-phenylpropanoic acid 3063-05-6 CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O InChI=1S/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1 KFKWRHQBZQICHA-STQMWFEESA-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 acid salts Carboxylic acids Hydrocarbon derivatives Leucine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Secondary carboxylic acid amides 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 Carboxylic acid salt Fatty acyl Fatty amide Hydrocarbon derivative Leucine or derivatives Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aromatic homomonocyclic compounds dipeptide logp -0.62 ALOGPS logs -3.13 ALOGPS logp -0.47 ChemAxon pka_strongest_acidic 3.95 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac (2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-phenylpropanoic acid ChemAxon average_mass 278.352 ChemAxon mono_mass 278.163042576 ChemAxon smiles CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O ChemAxon formula C15H22N2O3 ChemAxon inchi InChI=1S/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1 ChemAxon inchikey KFKWRHQBZQICHA-STQMWFEESA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 76.09 ChemAxon polarizability 30.43 ChemAxon rotatable_bond_count 7 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::NmrOneD 99438 Specdb::NmrOneD 99439 Specdb::NmrOneD 99440 Specdb::NmrOneD 99441 Specdb::NmrOneD 99442 Specdb::NmrOneD 99443 Specdb::NmrOneD 99444 Specdb::NmrOneD 99445 Specdb::NmrOneD 99446 Specdb::NmrOneD 99447 Specdb::NmrOneD 99448 Specdb::NmrOneD 99449 Specdb::NmrOneD 99450 Specdb::NmrOneD 99451 Specdb::NmrOneD 99452 Specdb::NmrOneD 99453 Specdb::NmrOneD 99454 Specdb::NmrOneD 99455 Specdb::NmrOneD 99456 Specdb::NmrOneD 99457 Specdb::CMs 137131 Specdb::CMs 144865 Specdb::MsMs 2430421 Specdb::MsMs 2430422 Specdb::MsMs 2430423 Specdb::MsMs 2508475 Specdb::MsMs 2508476 Specdb::MsMs 2508477 FDB111642 5360450 6992309 73585