![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
27O : Summary
Code ![](/pdbe/static/images/help.png)
|
27O
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
(2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid
|
Synonyms ![](/pdbe/static/images/help.png)
|
(R)-Vedaprofen
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C19 H22 O2
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
282.377 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(O)C(c2ccc(c1ccccc12)C3CCCCC3)C |
SMILES
|
CACTVS |
3.385 |
C[CH](C(O)=O)c1ccc(C2CCCCC2)c3ccccc13 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
CC(c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O |
Canonical SMILES
|
CACTVS |
3.385 |
C[C@@H](C(O)=O)c1ccc(C2CCCCC2)c3ccccc13 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
C[C@H](c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)/t13-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VZUGVMQFWFVFBX-CYBMUJFWSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
43 (21 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2013-09-05
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-06-17
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|