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SummaryGeometryRelated PDB entries

ZW7

Summary
Name:N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide
Formula:C29 H24 F6 N2 O3
Formal charge:0
Formula weight:562.503 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide
OpenEye OEToolkits2.0.7~{N}-[(1~{S})-2-[(1~{R},5~{S})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C(NC(=O)c1ccccc1c1ccc(cc1)C(F)(F)F)c1cccc(c1)C(F)(F)F)N1CC2C(CO)C2C1
InChIInChI1.06InChI=1S/C29H24F6N2O3/c30-28(31,32)18-10-8-16(9-11-18)20-6-1-2-7-21(20)26(39)36-25(17-4-3-5-19(12-17)29(33,34)35)27(40)37-13-22-23(14-37)24(22)15-38/h1-12,22-25,38H,13-15H2,(H,36,39)/t22-,23+,24+,25-/m0/s1
InChIKeyInChI1.06LLNURPOWMDHYAG-LIONHTAISA-N
SMILES_CANONICALCACTVS3.385OCC1[C@@H]2CN(C[C@H]12)C(=O)[C@@H](NC(=O)c3ccccc3c4ccc(cc4)C(F)(F)F)c5cccc(c5)C(F)(F)F
SMILESCACTVS3.385OCC1[CH]2CN(C[CH]12)C(=O)[CH](NC(=O)c3ccccc3c4ccc(cc4)C(F)(F)F)c5cccc(c5)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](c3cccc(c3)C(F)(F)F)C(=O)N4C[C@@H]5[C@H](C4)C5CO
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)c2ccc(cc2)C(F)(F)F)C(=O)NC(c3cccc(c3)C(F)(F)F)C(=O)N4CC5C(C4)C5CO

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PDB entries from 2026-02-11

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