![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
L0J : Summary
Code ![](/pdbe/static/images/help.png)
|
L0J
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
N-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C14 H22 N4 O4 S
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
342.414 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
C1CN(CCC1NC(=O)c3cc(C2CC2)on3)S(CCN)(=O)=O |
SMILES
|
CACTVS |
3.385 |
NCC[S](=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3 |
Canonical SMILES
|
CACTVS |
3.385 |
NCC[S](=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H22N4O4S/c15-5-8-23(20,21)18-6-3-11(4-7-18)16-14(19)12-9-13(22-17-12)10-1-2-10/h9-11H,1-8,15H2,(H,16,19) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AMCHZZBLDUVCGF-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
45 (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)
|
2019-01-30
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-01-10
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|