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

A1A0J

Summary
Name:(3S)-3-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione
Formula:C13 H13 N3 O3
Formal charge:0
Formula weight:259.261 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S)-3-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione
OpenEye OEToolkits2.0.7(3~{S})-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-2,6-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(=O)CCC1N1c2ccccc2N(C)C1=O
InChIInChI1.06InChI=1S/C13H13N3O3/c1-15-8-4-2-3-5-9(8)16(13(15)19)10-6-7-11(17)14-12(10)18/h2-5,10H,6-7H2,1H3,(H,14,17,18)/t10-/m0/s1
InChIKeyInChI1.06VFDZUWPTOYTMAL-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)N([C@H]2CCC(=O)NC2=O)c3ccccc13
SMILESCACTVS3.385CN1C(=O)N([CH]2CCC(=O)NC2=O)c3ccccc13
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1c2ccccc2N(C1=O)[C@H]3CCC(=O)NC3=O
SMILESOpenEye OEToolkits2.0.7CN1c2ccccc2N(C1=O)C3CCC(=O)NC3=O

227111

건을2024-11-06부터공개중

PDB statisticsPDBj update infoContact PDBjnumon