1.0 2020-03-03 19:38:44 UTC 2020-04-22 15:56:52 UTC BMDB0064065 BMDB64065 Seryltyrosine L-Ser-L-tyr S-Y SY L-Seryl-L-tyrosine N-L-Seryl-L-tyrosine N-Seryltyrosine S-Y dipeptide SY dipeptide Ser-tyr Serine tyrosine dipeptide Serine-tyrosine dipeptide Serinyl-tyrosine Serinyltyrosine Seryl-tyrosine Seryltyrosine C12H16N2O5 268.269 268.105921623 (2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid (2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid 21435-27-8 N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C12H16N2O5/c13-9(6-15)11(17)14-10(12(18)19)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)/t9-,10-/m0/s1 MALNXHYEPCSPPU-UWVGGRQHSA-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 acid salts Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Primary alcohols Secondary carboxylic acid amides Serine and derivatives Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Alcohol 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 Carboxylic acid salt Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary alcohol Primary aliphatic amine Primary amine Secondary carboxylic acid amide Serine or derivatives Tyrosine or derivatives Aromatic homomonocyclic compounds dipeptide logp -2.42 ALOGPS logs -1.92 ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 3.36 ChemAxon pka_strongest_basic 7.84 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid ChemAxon average_mass 268.269 ChemAxon mono_mass 268.105921623 ChemAxon smiles N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O ChemAxon formula C12H16N2O5 ChemAxon inchi InChI=1S/C12H16N2O5/c13-9(6-15)11(17)14-10(12(18)19)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)/t9-,10-/m0/s1 ChemAxon inchikey MALNXHYEPCSPPU-UWVGGRQHSA-N ChemAxon polar_surface_area 132.88 ChemAxon refractivity 65.94 ChemAxon polarizability 26.42 ChemAxon rotatable_bond_count 6 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 131735 Specdb::CMs 139469 Specdb::NmrOneD 107438 Specdb::NmrOneD 107439 Specdb::NmrOneD 107440 Specdb::NmrOneD 107441 Specdb::NmrOneD 107442 Specdb::NmrOneD 107443 Specdb::NmrOneD 107444 Specdb::NmrOneD 107445 Specdb::NmrOneD 107446 Specdb::NmrOneD 107447 Specdb::NmrOneD 107448 Specdb::NmrOneD 107449 Specdb::NmrOneD 107450 Specdb::NmrOneD 107451 Specdb::NmrOneD 107452 Specdb::NmrOneD 107453 Specdb::NmrOneD 107454 Specdb::NmrOneD 107455 Specdb::NmrOneD 107456 Specdb::NmrOneD 107457 Specdb::MsMs 1272571 Specdb::MsMs 1272572 Specdb::MsMs 1272573 Specdb::MsMs 1387570 Specdb::MsMs 1387571 Specdb::MsMs 1387572 Specdb::MsMs 2319152 Specdb::MsMs 2319153 Specdb::MsMs 2319154 Specdb::MsMs 2619398 Specdb::MsMs 2619399 Specdb::MsMs 2619400 FDB112057 5384758 7021865 73652