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L7W

Summary
Name:(3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide
Formula:C18 H18 F N3 O3
Formal charge:0
Formula weight:343.352 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide
OpenEye OEToolkits2.0.7(3~{S})-1-[2-(2-fluoranylphenoxy)ethanoyl]-~{N}-pyridin-2-yl-pyrrolidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccccn1)C1CCN(C1)C(=O)COc1ccccc1F
InChIInChI1.03InChI=1S/C18H18FN3O3/c19-14-5-1-2-6-15(14)25-12-17(23)22-10-8-13(11-22)18(24)21-16-7-3-4-9-20-16/h1-7,9,13H,8,10-12H2,(H,20,21,24)/t13-/m0/s1
InChIKeyInChI1.03DDCJGHSYQAZZSQ-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385Fc1ccccc1OCC(=O)N2CC[C@@H](C2)C(=O)Nc3ccccn3
SMILESCACTVS3.385Fc1ccccc1OCC(=O)N2CC[CH](C2)C(=O)Nc3ccccn3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)OCC(=O)N2CC[C@@H](C2)C(=O)Nc3ccccn3)F
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)OCC(=O)N2CCC(C2)C(=O)Nc3ccccn3)F

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PDB entries from 2024-07-10

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