1.0 2020-03-03 19:37:51 UTC 2020-04-22 15:56:46 UTC BMDB0064050 BMDB64050 Serylasparagine L-Ser-L-asn Serinyl-asparagine SN L-Seryl-L-asparagine N2-L-Seryl-L-asparagine N2-Serylasparagine S-N Dipeptide sn Dipeptide Ser-asn Serine asparagine dipeptide Serine-asparagine dipeptide Serinylasparagine Seryl-asparagine Serylasparagine C7H13N3O5 219.197 219.085520531 (2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanoic acid (2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanoic acid 81466-41-3 N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(O)=O InChI=1S/C7H13N3O5/c8-3(2-11)6(13)10-4(7(14)15)1-5(9)12/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)/t3-,4-/m0/s1 LTFSLKWFMWZEBD-IMJSIDKUSA-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 Alpha amino acid amides Amino acids Asparagine and derivatives Carbonyl compounds Carboxylic acid salts Carboxylic acids Fatty acids and conjugates Fatty amides Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Primary alcohols Primary carboxylic acid amides Secondary carboxylic acid amides Serine and derivatives Alcohol Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Asparagine or derivatives Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives 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 Primary alcohol Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary carboxylic acid amide Serine or derivatives Aliphatic acyclic compounds dipeptide logp -3.46 ALOGPS logs -1.01 ALOGPS logp -5.9 ChemAxon pka_strongest_acidic 3.33 ChemAxon pka_strongest_basic 7.85 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanoic acid ChemAxon average_mass 219.197 ChemAxon mono_mass 219.085520531 ChemAxon smiles N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(O)=O ChemAxon formula C7H13N3O5 ChemAxon inchi InChI=1S/C7H13N3O5/c8-3(2-11)6(13)10-4(7(14)15)1-5(9)12/h3-4,11H,1-2,8H2,(H2,9,12)(H,10,13)(H,14,15)/t3-,4-/m0/s1 ChemAxon inchikey LTFSLKWFMWZEBD-IMJSIDKUSA-N ChemAxon polar_surface_area 155.74 ChemAxon refractivity 47.2 ChemAxon polarizability 19.75 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 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 137995 Specdb::CMs 145729 Specdb::NmrOneD 107178 Specdb::NmrOneD 107179 Specdb::NmrOneD 107180 Specdb::NmrOneD 107181 Specdb::NmrOneD 107182 Specdb::NmrOneD 107183 Specdb::NmrOneD 107184 Specdb::NmrOneD 107185 Specdb::NmrOneD 107186 Specdb::NmrOneD 107187 Specdb::NmrOneD 107188 Specdb::NmrOneD 107189 Specdb::NmrOneD 107190 Specdb::NmrOneD 107191 Specdb::NmrOneD 107192 Specdb::NmrOneD 107193 Specdb::NmrOneD 107194 Specdb::NmrOneD 107195 Specdb::NmrOneD 107196 Specdb::NmrOneD 107197 Specdb::MsMs 1262719 Specdb::MsMs 1262720 Specdb::MsMs 1262721 Specdb::MsMs 1377820 Specdb::MsMs 1377821 Specdb::MsMs 1377822 Specdb::MsMs 2334022 Specdb::MsMs 2334023 Specdb::MsMs 2334024 Specdb::MsMs 2632514 Specdb::MsMs 2632515 Specdb::MsMs 2632516 FDB112042 5379097 7016075 74802