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C0D

Summary
Name:(2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide
Formula:C14 H28 N2 O3
Formal charge:0
Formula weight:272.384 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide
OpenEye OEToolkits2.0.6(2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-(pentylamino)propyl]butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C(O)C(=O)NCCC(=O)NCCCCC)(C)C
InChIInChI1.03InChI=1S/C14H28N2O3/c1-5-6-7-9-15-11(17)8-10-16-13(19)12(18)14(2,3)4/h12,18H,5-10H2,1-4H3,(H,15,17)(H,16,19)/t12-/m0/s1
InChIKeyInChI1.03ZNKPIBQTIYRSDI-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385CCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)C
SMILESCACTVS3.385CCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.6CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C)O
SMILESOpenEye OEToolkits2.0.6CCCCCNC(=O)CCNC(=O)C(C(C)(C)C)O

218500

PDB entries from 2024-04-17

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