1.0 2018-07-17 17:21:22 UTC 2020-04-22 15:51:41 UTC BMDB0062233 BMDB62233 Glutaminylphenylalanine Glutaminylphenylalanine, also known as Q-F dipeptide or L-GLN-L-phe, 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. Glutaminylphenylalanine is possibly soluble (in water) and a very strong basic compound (based on its pKa). (2S)-2-[(2S)-2-Amino-4-carbamoylbutanamido]-3-phenylpropanoic acid (2S)-2-{[(2S)-2,5-diamino-5-oxopentanoyl]amino}-3-phenylpropanoic acid Glutamine phenylalanine dipeptide Glutamine-phenylalanine L-GLN-L-Phe L-Glutaminyl-phe N-Glutaminylphenylalanine N-L-Glutaminyl-L-phenylalanine Q-F Q-F Dipeptide QF QF Dipeptide (2S)-2-[(2S)-2-Amino-4-carbamoylbutanamido]-3-phenylpropanoate (2S)-2-{[(2S)-2,5-diamino-5-oxopentanoyl]amino}-3-phenylpropanoate GLN-Phe L-Glutaminyl-L-phenylalanine Glutaminyl-phenylalanine Glutamine-phenylalanine dipeptide (2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-phenylpropanoate Glutaminylphenylalanine C14H19N3O4 293.323 293.137556104 (2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-phenylpropanoic acid (2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-phenylpropanoic acid 92327-75-8 [H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=O InChI=1S/C14H19N3O4/c15-10(6-7-12(16)18)13(19)17-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H2,16,18)(H,17,19)(H,20,21)/t10-,11-/m0/s1 VHLZDSUANXBJHW-QWRGUYRKSA-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 Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Primary carboxylic acid amides 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 Fatty acyl Fatty amide Glutamine or derivatives Hydrocarbon derivative 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 Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary carboxylic acid amide Aromatic homomonocyclic compounds logp -2.27 ALOGPS logs -3.16 ALOGPS logp -4.1 ChemAxon pka_strongest_acidic -0.61 ChemAxon pka_strongest_basic 12.84 ChemAxon iupac (2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-phenylpropanoic acid ChemAxon average_mass 293.323 ChemAxon mono_mass 293.137556104 ChemAxon smiles [H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=O ChemAxon formula C14H19N3O4 ChemAxon inchi InChI=1S/C14H19N3O4/c15-10(6-7-12(16)18)13(19)17-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H2,16,18)(H,17,19)(H,20,21)/t10-,11-/m0/s1 ChemAxon inchikey VHLZDSUANXBJHW-QWRGUYRKSA-N ChemAxon polar_surface_area 139.99 ChemAxon refractivity 86.48 ChemAxon polarizability 29.8 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 5 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 169366 Specdb::MsMs 1239472 Specdb::MsMs 1239473 Specdb::MsMs 1239474 Specdb::MsMs 1354897 Specdb::MsMs 1354898 Specdb::MsMs 1354899 Specdb::MsMs 3223447 Specdb::MsMs 3223448 Specdb::MsMs 3223449 Specdb::MsMs 3224515 Specdb::MsMs 3224516 Specdb::MsMs 3224517 Specdb::NmrOneD 155170 Specdb::NmrOneD 155171 Specdb::NmrOneD 155172 Specdb::NmrOneD 155173 Specdb::NmrOneD 155174 Specdb::NmrOneD 155175 Specdb::NmrOneD 155176 Specdb::NmrOneD 155177 Specdb::NmrOneD 155178 Specdb::NmrOneD 155179 Specdb::NmrOneD 155180 Specdb::NmrOneD 155181 Specdb::NmrOneD 155182 Specdb::NmrOneD 155183 Specdb::NmrOneD 155184 Specdb::NmrOneD 155185 Specdb::NmrOneD 155186 Specdb::NmrOneD 155187 Specdb::NmrOneD 155188 Specdb::NmrOneD 155189 Milk By UPLC-Q-TOF Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 FDB098199 74854305 57288566 141430 Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828