1.0 2010-04-08 22:10:44 UTC 2015-07-20 22:59:37 UTC FDB013476 1,1'-Ethylidenebistryptophan Impurity in synthetic L-tryptophan, linked to an outbreak of fatal eosinophilia myalgia syndrome in 1989 associated with dietary supplements containing tryptophan 1,1-Di-1-tryptophylethane 1,1'-Ethylidenebis-L-tryptophan 1,1'-Ethylidenebis(tryptophan) EBT L-Tryptophan, 1,1'-ethylidenebis- Peak 97 Peak E C24H26N4O4 434.4876 434.19540534 2-amino-3-(1-{1-[3-(2-amino-2-carboxyethyl)-1H-indol-1-yl]ethyl}-1H-indol-3-yl)propanoic acid 2-amino-3-(1-{1-[3-(2-amino-2-carboxyethyl)indol-1-yl]ethyl}indol-3-yl)propanoic acid 132685-02-0 CC(N1C=C(CC(N)C(O)=O)C2=C1C=CC=C2)N1C=C(CC(N)C(O)=O)C2=C1C=CC=C2 InChI=1S/C24H26N4O4/c1-14(27-12-15(10-19(25)23(29)30)17-6-2-4-8-21(17)27)28-13-16(11-20(26)24(31)32)18-7-3-5-9-22(18)28/h2-9,12-14,19-20H,10-11,25-26H2,1H3,(H,29,30)(H,31,32) DETVQFQGSVEQBH-UHFFFAOYSA-N belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Indolyl carboxylic acids and derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Aromatic heteropolycyclic compounds 3-alkylindoles Alpha amino acids Amino acids Aralkylamines Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines N-alkylindoles Organic oxides Organopnictogen compounds Substituted pyrroles 3-alkylindole Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Indole Indolyl carboxylic acid derivative N-alkylindole Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Pyrrole Substituted pyrrole logp -0.38 ALOGPS logs -4.24 ALOGPS solubility 2.47e-02 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 2.19 ChemAxon pka_strongest_basic 9.69 ChemAxon iupac 2-amino-3-(1-{1-[3-(2-amino-2-carboxyethyl)-1H-indol-1-yl]ethyl}-1H-indol-3-yl)propanoic acid ChemAxon average_mass 434.4876 ChemAxon mono_mass 434.19540534 ChemAxon smiles CC(N1C=C(CC(N)C(O)=O)C2=C1C=CC=C2)N1C=C(CC(N)C(O)=O)C2=C1C=CC=C2 ChemAxon formula C24H26N4O4 ChemAxon inchi InChI=1S/C24H26N4O4/c1-14(27-12-15(10-19(25)23(29)30)17-6-2-4-8-21(17)27)28-13-16(11-20(26)24(31)32)18-7-3-5-9-22(18)28/h2-9,12-14,19-20H,10-11,25-26H2,1H3,(H,29,30)(H,31,32) ChemAxon inchikey DETVQFQGSVEQBH-UHFFFAOYSA-N ChemAxon polar_surface_area 136.5 ChemAxon refractivity 119.88 ChemAxon polarizability 45.64 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11093 Specdb::CMs 44076 Specdb::CMs 127705 Specdb::CMs 172691 Specdb::CMs 997300 Specdb::CMs 997301 Specdb::CMs 997302 Specdb::CMs 997303 Specdb::CMs 997304 Specdb::CMs 997305 Specdb::CMs 997306 Specdb::CMs 997307 Specdb::CMs 997308 Specdb::CMs 997309 Specdb::CMs 997310 Specdb::CMs 997311 Specdb::CMs 997312 Specdb::NmrOneD 128328 Specdb::NmrOneD 128329 Specdb::NmrOneD 128330 Specdb::NmrOneD 128331 Specdb::NmrOneD 128332 Specdb::NmrOneD 128333 Specdb::NmrOneD 128334 Specdb::NmrOneD 128335 Specdb::NmrOneD 128336 Specdb::NmrOneD 128337 Specdb::NmrOneD 128338 Specdb::NmrOneD 128339 Specdb::NmrOneD 128340 Specdb::NmrOneD 128341 Specdb::NmrOneD 128342 Specdb::NmrOneD 128343 Specdb::NmrOneD 128344 Specdb::NmrOneD 128345 Specdb::NmrOneD 128346 Specdb::NmrOneD 128347 Specdb::MsMs 70983 Specdb::MsMs 70984 Specdb::MsMs 70985 Specdb::MsMs 129555 Specdb::MsMs 129556 Specdb::MsMs 129557 Specdb::MsMs 2662867 Specdb::MsMs 2662868 Specdb::MsMs 2662869 Specdb::MsMs 3016047 Specdb::MsMs 3016048 Specdb::MsMs 3016049 HMDB34899 #<Reference:0x000055ce315e52b8>