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RSK : Summary
Code ![](/pdbe/static/images/help.png)
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RSK
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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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(1S,2R)-1,2-diphenylethane-1,2-diamine
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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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C14 H16 N2
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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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212.29 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 |
N[CH]([CH](N)c1ccccc1)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
c1ccc(cc1)C(C(c2ccccc2)N)N |
Canonical SMILES
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CACTVS |
3.385 |
N[C@H]([C@H](N)c1ccccc1)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
c1ccc(cc1)[C@H]([C@H](c2ccccc2)N)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14+ |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PONXTPCRRASWKW-OKILXGFUSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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32 (16 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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2015-09-03
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Last modified at ![](/pdbe/static/images/help.png)
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2017-10-06
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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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