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YOZ

Summary
Name:(2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide
Synonyms:Relebactam, the acylated, desulfated, imine-hydrolysis intermediate
Formula:C12 H22 N4 O3
Formal charge:0
Formula weight:270.328 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide
OpenEye OEToolkits2.0.7(2~{S},5~{R})-5-azanyl-1-methanoyl-5-oxidanyl-~{N}-piperidin-4-yl-piperidine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1(N)CCC(C(=O)NC2CCNCC2)N(C=O)C1
InChIInChI1.06InChI=1S/C12H22N4O3/c13-12(19)4-1-10(16(7-12)8-17)11(18)15-9-2-5-14-6-3-9/h8-10,14,19H,1-7,13H2,(H,15,18)/t10-,12+/m0/s1
InChIKeyInChI1.06SWVCDWJYHKCKJJ-CMPLNLGQSA-N
SMILES_CANONICALCACTVS3.385N[C@@]1(O)CC[C@H](N(C1)C=O)C(=O)NC2CCNCC2
SMILESCACTVS3.385N[C]1(O)CC[CH](N(C1)C=O)C(=O)NC2CCNCC2
SMILES_CANONICALOpenEye OEToolkits2.0.7C1C[C@@](CN([C@@H]1C(=O)NC2CCNCC2)C=O)(N)O
SMILESOpenEye OEToolkits2.0.7C1CC(CN(C1C(=O)NC2CCNCC2)C=O)(N)O

221051

PDB entries from 2024-06-12

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