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F4U : Summary
Code ![](/pdbe/static/images/help.png)
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F4U
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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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2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione
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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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C13 H10 N2 O5
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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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274.229 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 |
Oc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc2c(cc1O)C(=O)N(C2=O)C3CCC(=O)NC3=O |
Canonical SMILES
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CACTVS |
3.385 |
Oc1ccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c2c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)/t9-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LJBQRRQTZUJWRC-VIFPVBQESA-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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2020-03-26
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Last modified at ![](/pdbe/static/images/help.png)
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2020-08-21
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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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