![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
SPB : Summary
Code ![](/pdbe/static/images/help.png)
|
SPB
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C19 H19 N O3
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
309.359 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(Nc1ccc(cc1)\C=C\c2ccccc2)CCCC(=O)O |
SMILES
|
CACTVS |
3.341 |
OC(=O)CCCC(=O)Nc1ccc(cc1)C=Cc2ccccc2 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O |
Canonical SMILES
|
CACTVS |
3.341 |
OC(=O)CCCC(=O)Nc1ccc(cc1)/C=C/c2ccccc2 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)\C=C\c2ccc(cc2)NC(=O)CCCC(=O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+ |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FTXJWRRYLLRFMG-MDZDMXLPSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
42 (23 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)
|
2000-09-20
|
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
|
|