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TWS : Summary
Code ![](/pdbe/static/images/help.png)
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TWS
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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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N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}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 H18 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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310.347 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 |
c1cc(ccc1C(NO)=O)Cn2cc(CCO)c3ccccc23 |
SMILES
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CACTVS |
3.385 |
OCCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO |
Canonical SMILES
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CACTVS |
3.385 |
OCCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ACXGELCLQKZFMQ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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41 (23 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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2020-04-02
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-17
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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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