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MX8 : Summary
Code ![](/pdbe/static/images/help.png)
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MX8
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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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4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide
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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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C18 H28 N2 O4
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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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336.426 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 |
CCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(=O)NO |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CCCCCCOc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NO |
Canonical SMILES
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CACTVS |
3.385 |
CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H28N2O4/c1-4-5-6-7-12-24-15-10-8-14(9-11-15)17(21)19-16(13(2)3)18(22)20-23/h8-11,13,16,23H,4-7,12H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GUGHZGUQZCBZHP-INIZCTEOSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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52 (24 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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2019-10-28
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Last modified at ![](/pdbe/static/images/help.png)
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2020-02-21
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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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