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A1ANB : Summary
Code ![](/pdbe/static/images/help.png)
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A1ANB
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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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2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide
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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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C11 H15 N O2
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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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193.242 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 |
O=C(Nc1c(C)cc(C)cc1C)CO |
SMILES
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CACTVS |
3.385 |
Cc1cc(C)c(NC(=O)CO)c(C)c1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(c(c(c1)C)NC(=O)CO)C |
Canonical SMILES
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CACTVS |
3.385 |
Cc1cc(C)c(NC(=O)CO)c(C)c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(c(c(c1)C)NC(=O)CO)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H15NO2/c1-7-4-8(2)11(9(3)5-7)12-10(14)6-13/h4-5,13H,6H2,1-3H3,(H,12,14) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | XXCOYYOVKYXTIE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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29 (14 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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2024-04-15
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Last modified at ![](/pdbe/static/images/help.png)
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2024-04-19
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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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