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3HE

Summary
Name:4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione
Formula:C15 H23 N O4
Formal charge:0
Formula weight:281.347 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione
OpenEye OEToolkits1.9.24-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxidanylidene-cyclohexyl]-2-oxidanyl-ethyl]piperidine-2,6-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2NC(=O)CC(CC(O)C1C(=O)C(C)CC(C)C1)C2
InChIInChI1.03InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
InChIKeyInChI1.03YPHMISFOHDHNIV-FSZOTQKASA-N
SMILES_CANONICALCACTVS3.385C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC2CC(=O)NC(=O)C2
SMILESCACTVS3.385C[CH]1C[CH](C)C(=O)[CH](C1)[CH](O)CC2CC(=O)NC(=O)C2
SMILES_CANONICALOpenEye OEToolkits1.9.2C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C
SMILESOpenEye OEToolkits1.9.2CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C

220113

PDB entries from 2024-05-22

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