Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

CHF

Summary
Name:CYCLOHEXYLFLUOROSTATONE
Formula:C11 H19 F2 N O4
Formal charge:0
Formula weight:267.27 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid
OpenEye OEToolkits1.5.0(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxy-pentanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(F)(F)C(O)(O)C(N)CC1CCCCC1
SMILES_CANONICALCACTVS3.341N[C@@H](CC1CCCCC1)C(O)(O)C(F)(F)C(O)=O
SMILESCACTVS3.341N[CH](CC1CCCCC1)C(O)(O)C(F)(F)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1CCC(CC1)C[C@@H](C(C(C(=O)O)(F)F)(O)O)N
SMILESOpenEye OEToolkits1.5.0C1CCC(CC1)CC(C(C(C(=O)O)(F)F)(O)O)N
InChIInChI1.03InChI=1S/C11H19F2NO4/c12-10(13,9(15)16)11(17,18)8(14)6-7-4-2-1-3-5-7/h7-8,17-18H,1-6,14H2,(H,15,16)/t8-/m0/s1
InChIKeyInChI1.03SCJAAMPUNGXRHK-QMMMGPOBSA-N

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon