1.0 2020-03-03 19:30:59 UTC 2020-04-22 15:56:02 UTC BMDB0063933 BMDB63933 Histidyltryptophan Histidinyl-tryptophan HW L-His-L-TRP H-W Dipeptide HW Dipeptide His-TRP Histidine tryptophan dipeptide Histidine-tryptophan dipeptide Histidinyltryptophan Histidyl-tryptophan L-Histidinyl-L-tryptophan L-Histidyl-L-tryptophan N-Histidinyltryptophan N-Histidyltryptophan N-L-Histidinyl-L-tryptophan N-L-Histidyl-L-tryptophan Histidyltryptophan C17H19N5O3 341.371 341.148789492 (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid 23403-90-9 N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O InChI=1S/C17H19N5O3/c18-13(6-11-8-19-9-21-11)16(23)22-15(17(24)25)5-10-7-20-14-4-2-1-3-12(10)14/h1-4,7-9,13,15,20H,5-6,18H2,(H,19,21)(H,22,23)(H,24,25)/t13-,15-/m0/s1 FBTYOQIYBULKEH-ZFWWWQNUSA-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 3-alkylindoles Alpha amino acid amides Amino acids Aralkylamines Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acid salts Carboxylic acids Fatty amides Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Indolyl carboxylic acids and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Secondary carboxylic acid amides Substituted pyrroles 3-alkylindole Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Fatty acyl Fatty amide Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative Indole Indole or derivatives Indolyl 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 aliphatic amine Primary amine Pyrrole Secondary carboxylic acid amide Substituted pyrrole Aromatic heteropolycyclic compounds dipeptide logp -0.92 ALOGPS logs -3.14 ALOGPS logp -2 ChemAxon pka_strongest_acidic 3.62 ChemAxon pka_strongest_basic 7.84 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid ChemAxon average_mass 341.371 ChemAxon mono_mass 341.148789492 ChemAxon smiles N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O ChemAxon formula C17H19N5O3 ChemAxon inchi InChI=1S/C17H19N5O3/c18-13(6-11-8-19-9-21-11)16(23)22-15(17(24)25)5-10-7-20-14-4-2-1-3-12(10)14/h1-4,7-9,13,15,20H,5-6,18H2,(H,19,21)(H,22,23)(H,24,25)/t13-,15-/m0/s1 ChemAxon inchikey FBTYOQIYBULKEH-ZFWWWQNUSA-N ChemAxon polar_surface_area 136.89 ChemAxon refractivity 90.5 ChemAxon polarizability 34.6 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 175239 Specdb::NmrOneD 106098 Specdb::NmrOneD 106099 Specdb::NmrOneD 106100 Specdb::NmrOneD 106101 Specdb::NmrOneD 106102 Specdb::NmrOneD 106103 Specdb::NmrOneD 106104 Specdb::NmrOneD 106105 Specdb::NmrOneD 106106 Specdb::NmrOneD 106107 Specdb::NmrOneD 106108 Specdb::NmrOneD 106109 Specdb::NmrOneD 106110 Specdb::NmrOneD 106111 Specdb::NmrOneD 106112 Specdb::NmrOneD 106113 Specdb::NmrOneD 106114 Specdb::NmrOneD 106115 Specdb::NmrOneD 106116 Specdb::NmrOneD 106117 Specdb::MsMs 2455947 Specdb::MsMs 2455948 Specdb::MsMs 2455949 Specdb::MsMs 2478913 Specdb::MsMs 2478914 Specdb::MsMs 2478915 FDB111925 5373229 7009649 74058