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4H0

Summary
Name:(3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
Formula:C11 H9 F4 N O4
Formal charge:0
Formula weight:295.187 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
OpenEye OEToolkits1.7.63-azanyl-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CC(C(=O)COc1c(F)c(F)cc(F)c1F)N
InChIInChI1.03InChI=1S/C11H9F4NO4/c12-4-1-5(13)10(15)11(9(4)14)20-3-7(17)6(16)2-8(18)19/h1,6H,2-3,16H2,(H,18,19)/t6-/m0/s1
InChIKeyInChI1.03JCOKYDOKWNICJE-LURJTMIESA-N
SMILES_CANONICALCACTVS3.370N[C@@H](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F
SMILESCACTVS3.370N[CH](CC(O)=O)C(=O)COc1c(F)c(F)cc(F)c1F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1c(c(c(c(c1F)F)OCC(=O)C(CC(=O)O)N)F)F
SMILESOpenEye OEToolkits1.7.6c1c(c(c(c(c1F)F)OCC(=O)C(CC(=O)O)N)F)F

222415

數據於2024-07-10公開中

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