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KTM : Summary
Code ![](/pdbe/static/images/help.png)
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KTM
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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-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-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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C15 H12 N2 O3
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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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268.267 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 |
c21cccc(c1C(NC2=O)=O)NCc3c(cccc3)O |
SMILES
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CACTVS |
3.385 |
Oc1ccccc1CNc2cccc3C(=O)NC(=O)c23 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O |
Canonical SMILES
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CACTVS |
3.385 |
Oc1ccccc1CNc2cccc3C(=O)NC(=O)c23 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H12N2O3/c18-12-7-2-1-4-9(12)8-16-11-6-3-5-10-13(11)15(20)17-14(10)19/h1-7,16,18H,8H2,(H,17,19,20) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LGIZVMOUWUZRKO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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32 (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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2019-01-13
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Last modified at ![](/pdbe/static/images/help.png)
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2019-05-03
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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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