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

W4Z

Summary
Name:N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide
Formula:C8 H15 N O6
Formal charge:0
Formula weight:221.208 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C8H15NO6/c1-3(10)9-2-4-5(11)6(12)7(13)8(14)15-4/h4-8,11-14H,2H2,1H3,(H,9,10)/t4-,5-,6+,7-,8+/m1/s1
InChIKeyInChI1.06ZZYSBICZTKUVNL-CBQIKETKSA-N
SMILES_CANONICALCACTVS3.385CC(=O)NC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385CC(=O)NC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
SMILESOpenEye OEToolkits2.0.7CC(=O)NCC1C(C(C(C(O1)O)O)O)O

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon