1.0 2020-03-03 19:40:54 UTC 2020-04-22 15:57:06 UTC BMDB0064102 BMDB64102 Tryptophyl-Phenylalanine L-Tryptophyl-L-phenylalanine TRP-Phe Tryptophan phenylalanine dipeptide Tryptophan-phenylalanine dipeptide Tryptophylphenylalanine W-F Dipeptide WF Dipeptide 2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-3-phenylpropanoate C20H21N3O3 351.399 351.158291553 2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid trp-phe NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CC=CC=C1)C(O)=O InChI=1S/C20H21N3O3/c21-16(11-14-12-22-17-9-5-4-8-15(14)17)19(24)23-18(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26) IMMPMHKLUUZKAZ-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 3-alkylindoles Alpha amino acid amides Amino acids Amphetamines and derivatives Aralkylamines Azacyclic compounds Carbonyl compounds Carboxylic acids Fatty amides Heteroaromatic compounds 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 Substituted pyrroles Tryptamines and derivatives 3-alkylindole 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 heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives 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 Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Pyrrole Secondary carboxylic acid amide Substituted pyrrole Triptan Aromatic heteropolycyclic compounds logp -0.02 ALOGPS logs -4.35 ALOGPS logp 0.032 ChemAxon pka_strongest_acidic 3.78 ChemAxon pka_strongest_basic 7.96 ChemAxon iupac 2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid ChemAxon average_mass 351.399 ChemAxon mono_mass 351.158291553 ChemAxon smiles NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CC=CC=C1)C(O)=O ChemAxon formula C20H21N3O3 ChemAxon inchi InChI=1S/C20H21N3O3/c21-16(11-14-12-22-17-9-5-4-8-15(14)17)19(24)23-18(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26) ChemAxon inchikey IMMPMHKLUUZKAZ-UHFFFAOYSA-N ChemAxon polar_surface_area 108.21 ChemAxon refractivity 98.12 ChemAxon polarizability 37.18 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 4 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::NmrOneD 107798 Specdb::NmrOneD 107799 Specdb::NmrOneD 107800 Specdb::NmrOneD 107801 Specdb::NmrOneD 107802 Specdb::NmrOneD 107803 Specdb::NmrOneD 107804 Specdb::NmrOneD 107805 Specdb::NmrOneD 107806 Specdb::NmrOneD 107807 Specdb::NmrOneD 107808 Specdb::NmrOneD 107809 Specdb::NmrOneD 107810 Specdb::NmrOneD 107811 Specdb::NmrOneD 107812 Specdb::NmrOneD 107813 Specdb::NmrOneD 107814 Specdb::NmrOneD 107815 Specdb::NmrOneD 107816 Specdb::NmrOneD 107817 Specdb::CMs 10906 Specdb::CMs 41122 Specdb::CMs 158874 Specdb::MsMs 290011 Specdb::MsMs 290012 Specdb::MsMs 290013 Specdb::MsMs 329605 Specdb::MsMs 329606 Specdb::MsMs 329607 Specdb::MsMs 2690060 Specdb::MsMs 2690061 Specdb::MsMs 2690062 Specdb::MsMs 2989478 Specdb::MsMs 2989479 Specdb::MsMs 2989480 FDB112094 4427709 3627800