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SummaryGeometryRelated PDB entries

2GV

Summary
Name:(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
Formula:C26 H23 N5 O2
Formal charge:0
Formula weight:437.493 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
OpenEye OEToolkits1.7.6(4S)-3-[4-(6-azanyl-5-pyrimidin-2-yl-pyridin-3-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2OC(C)(C)C(c1ccccc1)N2c5ccc(c4cc(c3ncccn3)c(nc4)N)cc5
InChIInChI1.03InChI=1S/C26H23N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-16,22H,1-2H3,(H2,27,30)/t22-/m0/s1
InChIKeyInChI1.03BGDLETKJFQIBLX-QFIPXVFZSA-N
SMILES_CANONICALCACTVS3.385CC1(C)OC(=O)N([C@H]1c2ccccc2)c3ccc(cc3)c4cnc(N)c(c4)c5ncccn5
SMILESCACTVS3.385CC1(C)OC(=O)N([CH]1c2ccccc2)c3ccc(cc3)c4cnc(N)c(c4)c5ncccn5
SMILES_CANONICALOpenEye OEToolkits1.7.6CC1([C@@H](N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C
SMILESOpenEye OEToolkits1.7.6CC1(C(N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C

223532

PDB entries from 2024-08-07

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