1.0 2020-03-03 19:26:54 UTC 2020-04-22 15:55:35 UTC BMDB0063862 BMDB63862 Glutaminyltyrosine (2S)-2-[(2S)-2-Amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid (2S)-2-{[(2S)-2,5-diamino-5-oxopentanoyl]amino}-3-(4-hydroxyphenyl)propanoic acid L-GLN-L-Tyr Q-Y Q-Y dipeptide QY QY dipeptide (2S)-2-[(2S)-2-Amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoate (2S)-2-{[(2S)-2,5-diamino-5-oxopentanoyl]amino}-3-(4-hydroxyphenyl)propanoate GLN-Tyr L-Glutaminyl-L-tyrosine Glutaminyl-tyrosine Glutamine tyrosine dipeptide Glutamine-tyrosine dipeptide (2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-(4-hydroxyphenyl)propanoate Glutaminyltyrosine C14H19N3O5 309.322 309.132470724 (2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid (2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid 457662-02-1 N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C14H19N3O5/c15-10(5-6-12(16)19)13(20)17-11(14(21)22)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15H2,(H2,16,19)(H,17,20)(H,21,22)/t10-,11-/m0/s1 KGNSGRRALVIRGR-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 1-hydroxy-2-unsubstituted benzenoids 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 Phenylalanine and derivatives Phenylpropanoic acids Primary carboxylic acid amides Secondary carboxylic acid amides Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoid 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 Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary carboxylic acid amide Tyrosine or derivatives Aromatic homomonocyclic compounds logp -2.61 ALOGPS logs -2.79 ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 3.42 ChemAxon pka_strongest_basic 8.2 ChemAxon iupac (2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid ChemAxon average_mass 309.322 ChemAxon mono_mass 309.132470724 ChemAxon smiles N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O ChemAxon formula C14H19N3O5 ChemAxon inchi InChI=1S/C14H19N3O5/c15-10(5-6-12(16)19)13(20)17-11(14(21)22)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15H2,(H2,16,19)(H,17,20)(H,21,22)/t10-,11-/m0/s1 ChemAxon inchikey KGNSGRRALVIRGR-QWRGUYRKSA-N ChemAxon polar_surface_area 155.74 ChemAxon refractivity 77.01 ChemAxon polarizability 30.89 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 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 171164 Specdb::MsMs 1267528 Specdb::MsMs 1267529 Specdb::MsMs 1267530 Specdb::MsMs 1382566 Specdb::MsMs 1382567 Specdb::MsMs 1382568 Specdb::MsMs 3223474 Specdb::MsMs 3223475 Specdb::MsMs 3223476 Specdb::MsMs 3223477 Specdb::MsMs 3223478 Specdb::MsMs 3223479 Specdb::NmrOneD 105398 Specdb::NmrOneD 105399 Specdb::NmrOneD 105400 Specdb::NmrOneD 105401 Specdb::NmrOneD 105402 Specdb::NmrOneD 105403 Specdb::NmrOneD 105404 Specdb::NmrOneD 105405 Specdb::NmrOneD 105406 Specdb::NmrOneD 105407 Specdb::NmrOneD 105408 Specdb::NmrOneD 105409 Specdb::NmrOneD 105410 Specdb::NmrOneD 105411 Specdb::NmrOneD 105412 Specdb::NmrOneD 105413 Specdb::NmrOneD 105414 Specdb::NmrOneD 105415 Specdb::NmrOneD 105416 Specdb::NmrOneD 105417 FDB111855 8148192 9972600 141432