1.0 2020-03-03 19:41:08 UTC 2020-04-22 15:57:07 UTC BMDB0064106 BMDB64106 Tryptophyl-Tryptophan L-Tryptophyl-L-tryptophan TRP-TRP Tryptophan tryptophan dipeptide Tryptophan-tryptophan dipeptide Tryptophyltryptophan W-W Dipeptide WW Dipeptide 1-Tryptophan-1-tryptophan Tryptophan-tryptophan 2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-3-(1H-indol-3-yl)propanoate Tryptophyl-tryptophan C22H22N4O3 390.4351 390.16919059 2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid L-tryptophyl-L-tryptophan NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29) NQIHMZLGCZNZBN-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 Aralkylamines Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Fatty amides Heteroaromatic compounds Hydrocarbon derivatives Indolyl carboxylic acids and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Substituted pyrroles Tryptamines and derivatives 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 Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Heteroaromatic compound Hydrocarbon 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 Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Pyrrole Secondary carboxylic acid amide Substituted pyrrole Triptan Aromatic heteropolycyclic compounds logp 0.36 ALOGPS logs -4.45 ALOGPS logp 0.13 ChemAxon pka_strongest_acidic 3.83 ChemAxon pka_strongest_basic 7.96 ChemAxon iupac 2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid ChemAxon average_mass 390.4351 ChemAxon mono_mass 390.16919059 ChemAxon smiles NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O ChemAxon formula C22H22N4O3 ChemAxon inchi InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29) ChemAxon inchikey NQIHMZLGCZNZBN-UHFFFAOYSA-N ChemAxon polar_surface_area 124 ChemAxon refractivity 109.21 ChemAxon polarizability 41.3 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 18747 Specdb::CMs 41126 Specdb::CMs 135595 Specdb::CMs 143329 Specdb::MsMs 307636 Specdb::MsMs 307637 Specdb::MsMs 307638 Specdb::MsMs 351628 Specdb::MsMs 351629 Specdb::MsMs 351630 Specdb::MsMs 2263348 Specdb::MsMs 2263349 Specdb::MsMs 2263350 Specdb::MsMs 3079131 Specdb::MsMs 3079132 Specdb::MsMs 3079133 FDB112098 281740 318292