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FDI

Summary
Name:4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID
Formula:C15 H20 N2 O4
Formal charge:0
Formula weight:292.33 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-(acetylamino)-3-[(2-ethylbutanoyl)amino]benzoic acid
OpenEye OEToolkits1.5.04-acetamido-3-(2-ethylbutanoylamino)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc1cc(ccc1NC(=O)C)C(=O)O)C(CC)CC
SMILES_CANONICALCACTVS3.341CCC(CC)C(=O)Nc1cc(ccc1NC(C)=O)C(O)=O
SMILESCACTVS3.341CCC(CC)C(=O)Nc1cc(ccc1NC(C)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O
SMILESOpenEye OEToolkits1.5.0CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O
InChIInChI1.03InChI=1S/C15H20N2O4/c1-4-10(5-2)14(19)17-13-8-11(15(20)21)6-7-12(13)16-9(3)18/h6-8,10H,4-5H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyInChI1.03USKXJFHTBQWXCS-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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