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NFK

Summary
Name:N'-Formylkynurenine
Synonyms:(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid
Formula:C11 H12 N2 O4
Formal charge:0
Formula weight:236.224 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid
OpenEye OEToolkits2.0.6(2~{S})-2-azanyl-4-(2-formamidophenyl)-4-oxidanylidene-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(CC(c1ccccc1NC=O)=O)N
InChIInChI1.03InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1
InChIKeyInChI1.03BYHJHXPTQMMKCA-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.385N[C@@H](CC(=O)c1ccccc1NC=O)C(O)=O
SMILESCACTVS3.385N[CH](CC(=O)c1ccccc1NC=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)C(=O)CC(C(=O)O)N)NC=O

217705

PDB entries from 2024-03-27

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