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Q3Q : Summary
Code ![](/pdbe/static/images/help.png)
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Q3Q
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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Carborane closo-butyl-sulfonamide
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Systematic names ![](/pdbe/static/images/help.png)
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Not Assigned
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Formula ![](/pdbe/static/images/help.png)
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C6 H10 B10 N O2 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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268.324 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
N[S](=O)(=O)CCCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCS(=O)(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
N[S](=O)(=O)CCCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCS(=O)(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H10B10NO2S/c17-20(18,19)4-2-1-3-6-5-7(6)9(5)10(5)8(5,6)12(6)11(6,7)13(7,9)15(9,10)14(8,10,12)16(11,12,13)15/h1-4H2,(H2,17,18,19) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IVOGNIVEOIPVME-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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30 (20 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2020-05-07
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Last modified at ![](/pdbe/static/images/help.png)
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2020-10-23
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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