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OX6 : Summary
Code ![](/pdbe/static/images/help.png)
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OX6
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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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TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
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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 H19 N3 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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241.287 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 |
10.04 |
O=C(OC(C)(C)C)NC(c1nnco1)C(C)C |
SMILES
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CACTVS |
3.341 |
CC(C)[CH](NC(=O)OC(C)(C)C)c1ocnn1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C)C(c1nnco1)NC(=O)OC(C)(C)C |
Canonical SMILES
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CACTVS |
3.341 |
CC(C)[C@@H](NC(=O)OC(C)(C)C)c1ocnn1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C)[C@H](c1nnco1)NC(=O)OC(C)(C)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PARUDDGQWSBIIO-MRVPVSSYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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36 (17 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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2007-05-22
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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