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6RP : Summary
Code ![](/pdbe/static/images/help.png)
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6RP
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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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bis(pyrzol-1-yl)acetate scorpionate
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C8 H8 N4 O2
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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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192.175 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 |
OC(=O)C(n1cccn1)n2cccn2 |
SMILES
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OpenEye OEToolkits |
2.0.5 |
c1cnn(c1)C(C(=O)O)n2cccn2 |
Canonical SMILES
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CACTVS |
3.385 |
OC(=O)C(n1cccn1)n2cccn2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.5 |
c1cnn(c1)C(C(=O)O)n2cccn2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H8N4O2/c13-8(14)7(11-5-1-3-9-11)12-6-2-4-10-12/h1-7H,(H,13,14) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NJDSSVBTTVUKHM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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22 (14 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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2016-06-08
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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