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OYQ : Summary
Code ![](/pdbe/static/images/help.png)
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OYQ
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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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(4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide
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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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C13 H20 N2 O3 S
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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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284.375 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=S(=O)(N)c1ccc(NC(=O)CCC(C)CC)cc1 |
SMILES
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CACTVS |
3.370 |
CC[CH](C)CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
CCC(C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N |
Canonical SMILES
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CACTVS |
3.370 |
CC[C@H](C)CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
CC[C@H](C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H20N2O3S/c1-3-10(2)4-9-13(16)15-11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)(H2,14,17,18)/t10-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NTFBKJBQQKWQSL-JTQLQIEISA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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39 (19 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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2010-09-30
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Last modified at ![](/pdbe/static/images/help.png)
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2011-08-05
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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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