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

48R

Summary
Name:(2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide
Formula:C18 H18 N2 O4 S
Formal charge:0
Formula weight:358.412 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide
OpenEye OEToolkits1.9.2(2R)-3-(fluoren-9-ylideneamino)oxy-2-methyl-N-methylsulfonyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(NC(=O)C(C)CO\N=C3/c1ccccc1c2c3cccc2)C
InChIInChI1.03InChI=1S/C18H18N2O4S/c1-12(18(21)20-25(2,22)23)11-24-19-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyInChI1.03FRTXAYQPEDIBAD-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385C[C@H](CON=C1c2ccccc2c3ccccc13)C(=O)N[S](C)(=O)=O
SMILESCACTVS3.385C[CH](CON=C1c2ccccc2c3ccccc13)C(=O)N[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2C[C@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C
SMILESOpenEye OEToolkits1.9.2CC(CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C

222415

건을2024-07-10부터공개중

PDB statisticsPDBj update infoContact PDBjnumon