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JA6

Summary
Name:(2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide
Formula:C18 H23 F N2 O2
Formal charge:0
Formula weight:318.386 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-~{N}-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H23FN2O2/c1-12(22)21(16-10-11-16)17(13-6-8-14(19)9-7-13)18(23)20-15-4-2-3-5-15/h6-9,15-17H,2-5,10-11H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyInChI1.03WMTNJDDVDAMKPW-QGZVFWFLSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N(C1CC1)[C@@H](C(=O)NC2CCCC2)c3ccc(F)cc3
SMILESCACTVS3.385CC(=O)N(C1CC1)[CH](C(=O)NC2CCCC2)c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N(C1CC1)[C@H](c2ccc(cc2)F)C(=O)NC3CCCC3
SMILESOpenEye OEToolkits2.0.7CC(=O)N(C1CC1)C(c2ccc(cc2)F)C(=O)NC3CCCC3

222415

PDB entries from 2024-07-10

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