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PQU

Summary
Name:(5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione
Formula:C21 H17 N3 O4
Formal charge:0
Formula weight:375.377 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione
OpenEye OEToolkits2.0.7(5~{S})-5-methyl-5-(6-phenoxypyridin-3-yl)-3-phenylazanyl-1,3-oxazolidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC1(OC(=O)N(Nc2ccccc2)C1=O)c1cnc(Oc2ccccc2)cc1
InChIInChI1.03InChI=1S/C21H17N3O4/c1-21(15-12-13-18(22-14-15)27-17-10-6-3-7-11-17)19(25)24(20(26)28-21)23-16-8-4-2-5-9-16/h2-14,23H,1H3/t21-/m0/s1
InChIKeyInChI1.03QOFLFGUNPBNKDO-NRFANRHFSA-N
SMILES_CANONICALCACTVS3.385C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)nc3
SMILESCACTVS3.385C[C]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)nc3
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(nc3)Oc4ccccc4
SMILESOpenEye OEToolkits2.0.7CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(nc3)Oc4ccccc4

219869

PDB entries from 2024-05-15

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