1.0 2020-03-03 19:30:52 UTC 2020-04-22 15:56:01 UTC BMDB0063931 BMDB63931 Histidylserine Histidinyl-serine HS L-His-L-ser H-S Dipeptide HS Dipeptide His-ser Histidine serine dipeptide Histidine-serine dipeptide Histidinylserine Histidyl-serine L-Histidinyl-L-serine L-Histidyl-L-serine N-Histidinylserine N-Histidylserine N-L-Histidinyl-L-serine N-L-Histidyl-L-serine Histidylserine C9H14N4O4 242.235 242.101504947 (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid 21438-60-8 N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C9H14N4O4/c10-6(1-5-2-11-4-12-5)8(15)13-7(3-14)9(16)17/h2,4,6-7,14H,1,3,10H2,(H,11,12)(H,13,15)(H,16,17)/t6-,7-/m0/s1 KRBMQYPTDYSENE-BQBZGAKWSA-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 Aralkylamines Azacyclic compounds Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid salts Carboxylic acids Fatty amides Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Primary alcohols Secondary carboxylic acid amides Serine and derivatives Alcohol Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteromonocyclic compound Azacycle Azole Beta-hydroxy acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Fatty acyl Fatty amide Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Hydroxy acid Imidazole Imidazolyl carboxylic acid 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 Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary aliphatic amine Primary amine Secondary carboxylic acid amide Serine or derivatives Aromatic heteromonocyclic compounds dipeptide logp -2.98 ALOGPS logs -1.24 ALOGPS logp -4.8 ChemAxon pka_strongest_acidic 3.23 ChemAxon pka_strongest_basic 7.84 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid ChemAxon average_mass 242.235 ChemAxon mono_mass 242.101504947 ChemAxon smiles N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CO)C(O)=O ChemAxon formula C9H14N4O4 ChemAxon inchi InChI=1S/C9H14N4O4/c10-6(1-5-2-11-4-12-5)8(15)13-7(3-14)9(16)17/h2,4,6-7,14H,1,3,10H2,(H,11,12)(H,13,15)(H,16,17)/t6-,7-/m0/s1 ChemAxon inchikey KRBMQYPTDYSENE-BQBZGAKWSA-N ChemAxon polar_surface_area 141.33 ChemAxon refractivity 56.33 ChemAxon polarizability 23.22 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 169544 Specdb::MsMs 2293401 Specdb::MsMs 2293402 Specdb::MsMs 2293403 Specdb::MsMs 2645694 Specdb::MsMs 2645695 Specdb::MsMs 2645696 Specdb::NmrOneD 106058 Specdb::NmrOneD 106059 Specdb::NmrOneD 106060 Specdb::NmrOneD 106061 Specdb::NmrOneD 106062 Specdb::NmrOneD 106063 Specdb::NmrOneD 106064 Specdb::NmrOneD 106065 Specdb::NmrOneD 106066 Specdb::NmrOneD 106067 Specdb::NmrOneD 106068 Specdb::NmrOneD 106069 Specdb::NmrOneD 106070 Specdb::NmrOneD 106071 Specdb::NmrOneD 106072 Specdb::NmrOneD 106073 Specdb::NmrOneD 106074 Specdb::NmrOneD 106075 Specdb::NmrOneD 106076 Specdb::NmrOneD 106077 FDB111923 5360951 6992829 74056