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4ZM

Summary
Name:ethyl N-{[3-(pyridin-4-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-4-yl)benzyl]carbamoyl}glycinate
OpenEye OEToolkits1.9.2ethyl 2-[(3-pyridin-4-ylphenyl)methylcarbamoylamino]ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(CC(OCC)=O)C(NCc1cc(ccc1)c2ccncc2)=O
InChIInChI1.03InChI=1S/C17H19N3O3/c1-2-23-16(21)12-20-17(22)19-11-13-4-3-5-15(10-13)14-6-8-18-9-7-14/h3-10H,2,11-12H2,1H3,(H2,19,20,22)
InChIKeyInChI1.03RQULFHOUPQXHRG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2
SMILESCACTVS3.385CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2
SMILES_CANONICALOpenEye OEToolkits1.9.2CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2
SMILESOpenEye OEToolkits1.9.2CCOC(=O)CNC(=O)NCc1cccc(c1)c2ccncc2

227344

PDB entries from 2024-11-13

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