1.0 2020-03-03 19:28:38 UTC 2020-04-22 15:55:46 UTC BMDB0063892 BMDB63892 Glycyl-Tryptophan g-W Dipeptide Gly-TRP Glycine tryptophan dipeptide Glycine-tryptophan dipeptide Glycyltryptophan GW Dipeptide L-Glycyl-L-tryptophan Glycyl-L-tryptophan Glycyltryptophan, (DL)-isomer 2-[(2-Amino-1-hydroxyethylidene)amino]-3-(1H-indol-3-yl)propanoate C13H15N3O3 261.2765 261.111341361 2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanoic acid 2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanoic acid NCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O InChI=1S/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19) AJHCSUXXECOXOY-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 Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids 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 3-alkylindole Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid 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 Aromatic heteropolycyclic compounds logp -1.23 ALOGPS logs -2.34 ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 3.82 ChemAxon pka_strongest_basic 8.14 ChemAxon iupac 2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanoic acid ChemAxon average_mass 261.2765 ChemAxon mono_mass 261.111341361 ChemAxon smiles NCC(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O ChemAxon formula C13H15N3O3 ChemAxon inchi InChI=1S/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19) ChemAxon inchikey AJHCSUXXECOXOY-UHFFFAOYSA-N ChemAxon polar_surface_area 108.21 ChemAxon refractivity 69.01 ChemAxon polarizability 26.63 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 14088 Specdb::CMs 40910 Specdb::CMs 152290 Specdb::MsMs 297076 Specdb::MsMs 297077 Specdb::MsMs 297078 Specdb::MsMs 338509 Specdb::MsMs 338510 Specdb::MsMs 338511 Specdb::MsMs 2683485 Specdb::MsMs 2683486 Specdb::MsMs 2683487 Specdb::MsMs 3021459 Specdb::MsMs 3021460 Specdb::MsMs 3021461 Specdb::NmrOneD 105778 Specdb::NmrOneD 105779 Specdb::NmrOneD 105780 Specdb::NmrOneD 105781 Specdb::NmrOneD 105782 Specdb::NmrOneD 105783 Specdb::NmrOneD 105784 Specdb::NmrOneD 105785 Specdb::NmrOneD 105786 Specdb::NmrOneD 105787 Specdb::NmrOneD 105788 Specdb::NmrOneD 105789 Specdb::NmrOneD 105790 Specdb::NmrOneD 105791 Specdb::NmrOneD 105792 Specdb::NmrOneD 105793 Specdb::NmrOneD 105794 Specdb::NmrOneD 105795 Specdb::NmrOneD 105796 Specdb::NmrOneD 105797 FDB111884 92825 102763