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SummaryGeometryRelated PDB entries

L1D

Summary
Name:(2R,4S)-N^1^-(4-chlorophenyl)-N^2^-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide
Formula:C29 H24 Cl F N4 O4
Formal charge:0
Formula weight:546.977 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,4S)-N~1~-(4-chlorophenyl)-N~2~-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide
OpenEye OEToolkits1.6.1(2R,4S)-N-(4-chlorophenyl)-N'-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-4-hydroxy-4-phenyl-pyrrolidine-1,2-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1)NC(=O)N3CC(O)(c2ccccc2)CC3C(=O)Nc4c(F)cc(cc4)N5C=CC=CC5=O
SMILES_CANONICALCACTVS3.352O[C@@]1(C[C@@H](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)c5ccccc5
SMILESCACTVS3.352O[C]1(C[CH](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits1.6.1c1ccc(cc1)[C@]2(C[C@@H](N(C2)C(=O)Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O
SMILESOpenEye OEToolkits1.6.1c1ccc(cc1)C2(CC(N(C2)C(=O)Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O
InChIInChI1.03InChI=1S/C29H24ClFN4O4/c30-20-9-11-21(12-10-20)32-28(38)35-18-29(39,19-6-2-1-3-7-19)17-25(35)27(37)33-24-14-13-22(16-23(24)31)34-15-5-4-8-26(34)36/h1-16,25,39H,17-18H2,(H,32,38)(H,33,37)/t25-,29-/m1/s1
InChIKeyInChI1.03ZFOBYPBSJINJKI-VAVYLYDRSA-N

223532

PDB entries from 2024-08-07

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