1.0 2020-03-03 19:42:25 UTC 2020-04-22 15:57:15 UTC BMDB0064128 BMDB64128 Tyrosyl-Tyrosine Dityrosine L-Tyrosyl-L-tyrosine Tyr-tyr Tyrosine tyrosine dipeptide Tyrosine-tyrosine dipeptide Tyrosyltyrosine Y-y dipeptide YY dipeptide Peptide tyrosine-tyrosine C18H20N2O5 344.3618 344.13722176 2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid tyr-tyr NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25) JAQGKXUEKGKTKX-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 Fatty amides Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids 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 Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives 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 dipeptide logp -1.27 ALOGPS logs -3.57 ALOGPS logp -0.68 ChemAxon pka_strongest_acidic 3.42 ChemAxon pka_strongest_basic 8.01 ChemAxon iupac 2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid ChemAxon average_mass 344.3618 ChemAxon mono_mass 344.13722176 ChemAxon smiles NC(CC1=CC=C(O)C=C1)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O ChemAxon formula C18H20N2O5 ChemAxon inchi InChI=1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25) ChemAxon inchikey JAQGKXUEKGKTKX-UHFFFAOYSA-N ChemAxon polar_surface_area 132.88 ChemAxon refractivity 90.99 ChemAxon polarizability 35.47 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 318154 Specdb::MsMs 318155 Specdb::MsMs 318156 Specdb::MsMs 364855 Specdb::MsMs 364856 Specdb::MsMs 364857 Specdb::MsMs 2328774 Specdb::MsMs 2328775 Specdb::MsMs 2328776 Specdb::MsMs 2633897 Specdb::MsMs 2633898 Specdb::MsMs 2633899 Specdb::NmrOneD 14982 Specdb::NmrOneD 14983 Specdb::NmrOneD 14984 Specdb::NmrOneD 14985 Specdb::NmrOneD 14986 Specdb::NmrOneD 14987 Specdb::NmrOneD 14988 Specdb::NmrOneD 14989 Specdb::NmrOneD 14990 Specdb::NmrOneD 14991 Specdb::NmrOneD 14992 Specdb::NmrOneD 14993 Specdb::NmrOneD 14994 Specdb::NmrOneD 14995 Specdb::NmrOneD 14996 Specdb::NmrOneD 14997 Specdb::NmrOneD 14998 Specdb::NmrOneD 14999 Specdb::NmrOneD 15000 Specdb::NmrOneD 15001 Specdb::CMs 23537 Specdb::CMs 41148 Specdb::CMs 117655 Specdb::CMs 147084 Specdb::CMs 994203 Specdb::CMs 994204 Specdb::CMs 994205 Specdb::CMs 994206 Specdb::CMs 994207 Specdb::CMs 994208 Specdb::CMs 994209 Specdb::CMs 994210 Specdb::CMs 994211 Specdb::CMs 994212 Specdb::CMs 994213 Specdb::CMs 994214 Specdb::CMs 994215 Specdb::CMs 994216 Specdb::CMs 994217 Specdb::CMs 994218 Specdb::CMs 994219 Specdb::CMs 994220 Specdb::CMs 994221 Specdb::CMs 994222 Specdb::CMs 994223 FDB112120 4234749 60987