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SummaryGeometryRelated PDB entries

A1B73

Summary
Name:(3S)-1-({[(3S)-piperidin-3-yl]oxy}acetyl)-N-({4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)piperidine-3-carboxamide
Formula:C24 H29 F3 N4 O3 S
Formal charge:0
Formula weight:510.572 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-({[(3S)-piperidin-3-yl]oxy}acetyl)-N-({4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}methyl)piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-[(3~{S})-piperidin-3-yl]oxyethanoyl]-~{N}-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(NCc1nc(cs1)c1ccc(cc1)C(F)(F)F)C1CCCN(C1)C(=O)COC1CCCNC1
InChIInChI1.06InChI=1S/C24H29F3N4O3S/c25-24(26,27)18-7-5-16(6-8-18)20-15-35-21(30-20)12-29-23(33)17-3-2-10-31(13-17)22(32)14-34-19-4-1-9-28-11-19/h5-8,15,17,19,28H,1-4,9-14H2,(H,29,33)/t17-,19-/m0/s1
InChIKeyInChI1.06OVPLOMYZPJLWSF-HKUYNNGSSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1ccc(cc1)c2csc(CNC(=O)[C@H]3CCCN(C3)C(=O)CO[C@H]4CCCNC4)n2
SMILESCACTVS3.385FC(F)(F)c1ccc(cc1)c2csc(CNC(=O)[CH]3CCCN(C3)C(=O)CO[CH]4CCCNC4)n2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(ccc1c2csc(n2)CNC(=O)[C@H]3CCCN(C3)C(=O)CO[C@H]4CCCNC4)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0c1cc(ccc1c2csc(n2)CNC(=O)C3CCCN(C3)C(=O)COC4CCCNC4)C(F)(F)F

249524

PDB entries from 2026-02-18

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