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Summary
Name:METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMINO-PHENYL))ACETATE
Formula:C12 H13 N O6
Formal charge:0
Formula weight:267.235 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[(1R)-1-(acetyloxy)-2-methoxy-2-oxoethyl]-5-aminobenzoic acid
OpenEye OEToolkits1.5.02-[(1R)-1-acetyloxy-2-methoxy-2-oxo-ethyl]-5-amino-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC)C(OC(=O)C)c1c(cc(N)cc1)C(=O)O
SMILES_CANONICALCACTVS3.341COC(=O)[C@H](OC(C)=O)c1ccc(N)cc1C(O)=O
SMILESCACTVS3.341COC(=O)[CH](OC(C)=O)c1ccc(N)cc1C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=O)O[C@H](c1ccc(cc1C(=O)O)N)C(=O)OC
SMILESOpenEye OEToolkits1.5.0CC(=O)OC(c1ccc(cc1C(=O)O)N)C(=O)OC
InChIInChI1.03InChI=1S/C12H13NO6/c1-6(14)19-10(12(17)18-2)8-4-3-7(13)5-9(8)11(15)16/h3-5,10H,13H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyInChI1.03DWYLZBJDRMVVPU-SNVBAGLBSA-N

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PDB entries from 2026-01-28

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