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4ZP

Summary
Name:ethyl N-{[3-(pyridin-3-yl)benzyl]carbamoyl}glycinate
Formula:C17 H19 N3 O3
Formal charge:0
Formula weight:313.351 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl N-{[3-(pyridin-3-yl)benzyl]carbamoyl}glycinate
OpenEye OEToolkits1.9.2ethyl 2-[(3-pyridin-3-ylphenyl)methylcarbamoylamino]ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(NC(NCC(=O)OCC)=O)c2cccc(c1cccnc1)c2
InChIInChI1.03InChI=1S/C17H19N3O3/c1-2-23-16(21)12-20-17(22)19-10-13-5-3-6-14(9-13)15-7-4-8-18-11-15/h3-9,11H,2,10,12H2,1H3,(H2,19,20,22)
InChIKeyInChI1.03MLAVNVQEXCHEOH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2
SMILESCACTVS3.385CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2
SMILES_CANONICALOpenEye OEToolkits1.9.2CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2
SMILESOpenEye OEToolkits1.9.2CCOC(=O)CNC(=O)NCc1cccc(c1)c2cccnc2

223166

PDB entries from 2024-07-31

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