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Summary

Name:(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid
Formula:C6 H10 Cl N O4
Formal charge:0
Molecular weight:195.601 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid (non-preferred name)
OpenEye OEToolkits1.5.0(2S)-2-amino-4-(2-chloroethoxy)-4-oxo-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCCCl)CC(N)C(=O)O
SMILES_CANONICALCACTVS3.341N[C@@H](CC(=O)OCCCl)C(O)=O
SMILESCACTVS3.341N[CH](CC(=O)OCCCl)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(CCl)OC(=O)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0C(CCl)OC(=O)CC(C(=O)O)N
InChIInChI1.03InChI=1S/C6H10ClNO4/c7-1-2-12-5(9)3-4(8)6(10)11/h4H,1-3,8H2,(H,10,11)/t4-/m0/s1
InChIKeyInChI1.03TZDZYSQZECUBEP-BYPYZUCNSA-N