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

RY5

Summary
Name:(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
Formula:C15 H12 Cl N3 O3
Formal charge:0
Formula weight:317.727 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H12ClN3O3/c16-10-1-2-12-9(7-10)3-5-15(12)13(20)19(14(21)17-15)8-11-4-6-22-18-11/h1-2,4,6-7H,3,5,8H2,(H,17,21)/t15-/m0/s1
InChIKeyInChI1.03BIZQWNOTOCHPKD-HNNXBMFYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc2c(CC[C@]23NC(=O)N(Cc4ccon4)C3=O)c1
SMILESCACTVS3.385Clc1ccc2c(CC[C]23NC(=O)N(Cc4ccon4)C3=O)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(cc1Cl)CC[C@@]23C(=O)N(C(=O)N3)Cc4ccon4
SMILESOpenEye OEToolkits2.0.7c1cc2c(cc1Cl)CCC23C(=O)N(C(=O)N3)Cc4ccon4

227111

數據於2024-11-06公開中

PDB statisticsPDBj update infoContact PDBjnumon