1.0 2020-03-03 19:41:43 UTC 2020-04-22 15:57:11 UTC BMDB0064116 BMDB64116 Tyrosyl-Glutamate Tyrosyl-glutamic acid L-Tyrosyl-L-glutamate Tyr-glu Tyrosine glutamate dipeptide Tyrosine-glutamate dipeptide Tyrosylglutamate Y-e dipeptide YE dipeptide 2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}pentanedioate C14H18N2O6 310.306 310.116486308 2-[2-amino-3-(4-hydroxyphenyl)propanamido]pentanedioic acid 2-[2-amino-3-(4-hydroxyphenyl)propanamido]pentanedioic acid NC(CC1=CC=C(O)C=C1)C(=O)NC(CCC(O)=O)C(O)=O InChI=1S/C14H18N2O6/c15-10(7-8-1-3-9(17)4-2-8)13(20)16-11(14(21)22)5-6-12(18)19/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22) PDSLRCZINIDLMU-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 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amphetamines and derivatives Aralkylamines Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty amides Glutamic acid and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Secondary carboxylic acid amides Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acyl Fatty amide Glutamic acid or derivatives Hydrocarbon derivative Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Secondary carboxylic acid amide Tyrosine or derivatives Aromatic homomonocyclic compounds logp -2.46 ALOGPS logs -2.61 ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 3.21 ChemAxon pka_strongest_basic 8.02 ChemAxon iupac 2-[2-amino-3-(4-hydroxyphenyl)propanamido]pentanedioic acid ChemAxon average_mass 310.306 ChemAxon mono_mass 310.116486308 ChemAxon smiles NC(CC1=CC=C(O)C=C1)C(=O)NC(CCC(O)=O)C(O)=O ChemAxon formula C14H18N2O6 ChemAxon inchi InChI=1S/C14H18N2O6/c15-10(7-8-1-3-9(17)4-2-8)13(20)16-11(14(21)22)5-6-12(18)19/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22) ChemAxon inchikey PDSLRCZINIDLMU-UHFFFAOYSA-N ChemAxon polar_surface_area 149.95 ChemAxon refractivity 75.18 ChemAxon polarizability 30.58 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 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 137770 Specdb::CMs 145504 Specdb::NmrOneD 156790 Specdb::NmrOneD 156791 Specdb::NmrOneD 156792 Specdb::NmrOneD 156793 Specdb::NmrOneD 156794 Specdb::NmrOneD 156795 Specdb::NmrOneD 156796 Specdb::NmrOneD 156797 Specdb::NmrOneD 156798 Specdb::NmrOneD 156799 Specdb::NmrOneD 156800 Specdb::NmrOneD 156801 Specdb::NmrOneD 156802 Specdb::NmrOneD 156803 Specdb::NmrOneD 156804 Specdb::NmrOneD 156805 Specdb::NmrOneD 156806 Specdb::NmrOneD 156807 Specdb::NmrOneD 156808 Specdb::NmrOneD 156809 Specdb::MsMs 1319335 Specdb::MsMs 1319336 Specdb::MsMs 1319337 Specdb::MsMs 1433767 Specdb::MsMs 1433768 Specdb::MsMs 1433769 Specdb::MsMs 2449873 Specdb::MsMs 2449874 Specdb::MsMs 2449875 Specdb::MsMs 2485911 Specdb::MsMs 2485912 Specdb::MsMs 2485913 FDB112108 14526366 19816750