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QDW : Summary
Code ![](/pdbe/static/images/help.png)
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QDW
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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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methoxymethyloxathiatetraazatetracyclodocosahexaenedione
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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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C18 H22 N4 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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390.457 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 |
COc1ncc2cc1N[S](=O)(=O)CCN(C)Cc3ccc4OCCN2c4c3 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1 |
Canonical SMILES
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CACTVS |
3.385 |
COc1ncc2cc1N[S](=O)(=O)CCN(C)Cc3ccc4OCCN2c4c3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H22N4O4S/c1-21-6-8-27(23,24)20-15-10-14(11-19-18(15)25-2)22-5-7-26-17-4-3-13(12-21)9-16(17)22/h3-4,9-11,20H,5-8,12H2,1-2H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GANNRSDWVBVNOE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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49 (27 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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2020-06-08
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-24
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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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