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665

Summary
Name:(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE
Formula:C17 H21 Br N2 O2
Formal charge:0
Formula weight:365.265 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
OpenEye OEToolkits1.5.0(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxo-pyrrolidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc1cccc(c1)NC(=O)C3CC(=O)N(C2CCCCC2)C3
SMILES_CANONICALCACTVS3.341Brc1cccc(NC(=O)[C@@H]2CN(C3CCCCC3)C(=O)C2)c1
SMILESCACTVS3.341Brc1cccc(NC(=O)[CH]2CN(C3CCCCC3)C(=O)C2)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)Br)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)Br)NC(=O)C2CC(=O)N(C2)C3CCCCC3
InChIInChI1.03InChI=1S/C17H21BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)/t12-/m0/s1
InChIKeyInChI1.03MVPIURCUINFSAB-LBPRGKRZSA-N

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PDB entries from 2024-10-16

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