1.0 2020-03-03 19:42:29 UTC 2020-04-22 15:57:16 UTC BMDB0064129 BMDB64129 Tyrosyl-Gamma-glutamate Tyrosyl-g-glutamate Tyrosyl-g-glutamic acid Tyrosyl-gamma-glutamic acid Tyrosyl-γ-glutamate Tyrosyl-γ-glutamic acid L-Tyrosyl-L-gamma-glutamate Tyr-gglu Tyrosine gamma-glutamate dipeptide Tyrosine-gamma-glutamate dipeptide Tyrosylgamma-glutamate Y-ge dipeptide YGE dipeptide 2-Amino-4-{[2-amino-3-(4-hydroxyphenyl)propanoyl]-C-hydroxycarbonimidoyl}butanoate C14H19N3O5 309.3178 309.132470733 2-amino-5-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-oxopentanoic acid 2-amino-5-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-oxopentanoic acid NC(CCC(=O)NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C14H19N3O5/c15-10(14(21)22)5-6-12(19)17-13(20)11(16)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15-16H2,(H,21,22)(H,17,19,20) NHXCEHCKISFORA-UHFFFAOYSA-N belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Alpha amino acids Amino acids Amphetamines and derivatives Aralkylamines Carbonyl compounds Carboxylic acids Dicarboximides Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-unsubstituted carboxylic acid imides Organic oxides Organopnictogen compounds Phenylalanine and derivatives 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid Alpha-amino acid amide Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid imide Carboxylic acid imide, n-unsubstituted Dicarboximide Glutamine or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Tyrosine or derivatives Aromatic homomonocyclic compounds logp -2.10 ALOGPS logs -2.92 ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 2.02 ChemAxon pka_strongest_basic 9.15 ChemAxon iupac 2-amino-5-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-oxopentanoic acid ChemAxon average_mass 309.3178 ChemAxon mono_mass 309.132470733 ChemAxon smiles NC(CCC(=O)NC(=O)C(N)CC1=CC=C(O)C=C1)C(O)=O ChemAxon formula C14H19N3O5 ChemAxon inchi InChI=1S/C14H19N3O5/c15-10(14(21)22)5-6-12(19)17-13(20)11(16)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15-16H2,(H,21,22)(H,17,19,20) ChemAxon inchikey NHXCEHCKISFORA-UHFFFAOYSA-N ChemAxon polar_surface_area 155.74 ChemAxon refractivity 77.13 ChemAxon polarizability 31.18 ChemAxon rotatable_bond_count 7 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::NmrOneD 107978 Specdb::NmrOneD 107979 Specdb::NmrOneD 107980 Specdb::NmrOneD 107981 Specdb::NmrOneD 107982 Specdb::NmrOneD 107983 Specdb::NmrOneD 107984 Specdb::NmrOneD 107985 Specdb::NmrOneD 107986 Specdb::NmrOneD 107987 Specdb::NmrOneD 107988 Specdb::NmrOneD 107989 Specdb::NmrOneD 107990 Specdb::NmrOneD 107991 Specdb::NmrOneD 107992 Specdb::NmrOneD 107993 Specdb::NmrOneD 107994 Specdb::NmrOneD 107995 Specdb::NmrOneD 107996 Specdb::NmrOneD 107997 Specdb::MsMs 309022 Specdb::MsMs 309023 Specdb::MsMs 309024 Specdb::MsMs 353353 Specdb::MsMs 353354 Specdb::MsMs 353355 Specdb::MsMs 2704994 Specdb::MsMs 2704995 Specdb::MsMs 2704996 Specdb::MsMs 3004473 Specdb::MsMs 3004474 Specdb::MsMs 3004475 Specdb::CMs 19360 Specdb::CMs 41150 Specdb::CMs 149499 FDB112121 35032830 131750790 174962