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WUW : Summary
Code ![](/pdbe/static/images/help.png)
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WUW
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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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(1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane
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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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C11 H21 N O4 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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263.354 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
CS(=O)(=O)N1CC(OC)C2CC1CCC2OC |
SMILES
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CACTVS |
3.385 |
CO[CH]1CC[CH]2C[CH]1[CH](CN2[S](C)(=O)=O)OC |
SMILES
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OpenEye OEToolkits |
2.0.7 |
COC1CCC2CC1C(CN2S(=O)(=O)C)OC |
Canonical SMILES
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CACTVS |
3.385 |
CO[C@H]1CC[C@@H]2C[C@H]1[C@H](CN2[S](C)(=O)=O)OC |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CO[C@H]1CC[C@@H]2C[C@H]1[C@H](CN2S(=O)(=O)C)OC |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H21NO4S/c1-15-10-5-4-8-6-9(10)11(16-2)7-12(8)17(3,13)14/h8-11H,4-7H2,1-3H3/t8-,9-,10+,11+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KAAQHBAJQWLEIG-ZNSHCXBVSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (17 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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2022-10-20
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Last modified at ![](/pdbe/static/images/help.png)
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2022-11-18
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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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