Loading
PDBj
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

OSW

Summary
Name:Metala-Carborane di-propyl-sulfonamide
Formula:C10 H36 B18 Co N2 O4 S2
Formal charge:0
Formula weight:566.065 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52Polycyclic part contains more than 20 rings!

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NS(=O)(=O)CCCC1234[BH]567[BH]89%10[BH]%11%12%13[BH]88%14[BH]%11%11%15[BH]%12%12%16[BH]9%135[BH]%1261[BH]%11%162[CH]8%153[Co]1%10%1472354[BH]467[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%12%12%17[BH]%1184C7%175(CCCS(N)(=O)=O)[CH]%14%121[BH]%1613[BH]962[BH]%15%13%101
InChIInChI1.06InChI=1S/2C5H18B9NO2S.Co/c2*15-18(16,17)3-1-2-5-4-6-8-7(5)11(5)9(4,5)10(4,6)12(6,8)13(7,8,11)14(9,10,11)12;/h2*4,6-14H,1-3H2,(H2,15,16,17);
InChIKeyInChI1.06RIHOXMNOBZPTFE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[Co].N[S](=O)(=O)CCC[C]123[BH]45[BH]67[BH]89[CH]1%10[BH]8%11%12[BH]69%13[BH]47%14[BH]25%15[BH]3%10%11[BH]%12%13%14%15.N[S](=O)(=O)CCC[C]%16%17%18[BH]%19%20[BH]%21%22[BH]%23%24[CH]%16%25[BH]%23%26%27[BH]%21%24%28[BH]%19%22%29[BH]%17%20%30[BH]%18%25%26[BH]%27%28%29%30
SMILESCACTVS3.385[Co].N[S](=O)(=O)CCC[C]123[BH]45[BH]67[BH]89[CH]1%10[BH]8%11%12[BH]69%13[BH]47%14[BH]25%15[BH]3%10%11[BH]%12%13%14%15.N[S](=O)(=O)CCC[C]%16%17%18[BH]%19%20[BH]%21%22[BH]%23%24[CH]%16%25[BH]%23%26%27[BH]%21%24%28[BH]%19%22%29[BH]%17%20%30[BH]%18%25%26[BH]%27%28%29%30
SMILES_CANONICALOpenEye OEToolkits3.1.0.0[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911C232([CH]4%105[Co]76121234[BH]567[BH]118[BH]559[BH]66%10[BH]272[BH]667[BH]%1055[BH]911[BH]565[CH]318C4752CCCS(=O)(=O)N)CCCS(=O)(=O)N
SMILESOpenEye OEToolkits3.1.0.0[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911C232([CH]4%105[Co]76121234[BH]567[BH]118[BH]559[BH]66%10[BH]272[BH]667[BH]%1055[BH]911[BH]565[CH]318C4752CCCS(=O)(=O)N)CCCS(=O)(=O)N

260320

PDB entries from 2026-09-30

PDB statisticsPDBj update infoContact PDBjnumon