KYN

?

Summary

Name:(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
Synonyms:L-KYNURENINE
Formula:C10 H12 N2 O3
Formal charge:0
Molecular weight:208.214 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
OpenEye OEToolkits1.7.6(2S)-4-(2-aminophenyl)-2-azanyl-4-oxidanylidene-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1ccccc1N)CC(C(=O)O)N
InChIInChI1.03InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
InChIKeyInChI1.03YGPSJZOEDVAXAB-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.370N[C@@H](CC(=O)c1ccccc1N)C(O)=O
SMILESCACTVS3.370N[CH](CC(=O)c1ccccc1N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)C(=O)CC(C(=O)O)N)N
170172
PDB entries from 2020-10-21