![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
4H1 : Summary
Code ![](/pdbe/static/images/help.png)
|
4H1
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
6-({[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl}amino)pyridine-3-carboxamide
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C14 H22 N4 O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
262.351 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
c1c(cnc(c1)NCC2CCCC(C2)CN)C(N)=O |
SMILES
|
CACTVS |
3.385 |
NC[CH]1CCC[CH](CNc2ccc(cn2)C(N)=O)C1 |
SMILES
|
OpenEye OEToolkits |
1.9.2 |
c1cc(ncc1C(=O)N)NCC2CCCC(C2)CN |
Canonical SMILES
|
CACTVS |
3.385 |
NC[C@H]1CCC[C@@H](CNc2ccc(cn2)C(N)=O)C1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.9.2 |
c1cc(ncc1C(=O)N)NC[C@@H]2CCC[C@@H](C2)CN |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H22N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h4-5,9-11H,1-3,6-8,15H2,(H2,16,19)(H,17,18)/t10-,11+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | UUTSJGSKPMLQOF-WDEREUQCSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
41 (19 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)
|
2015-03-18
|
Last modified at ![](/pdbe/static/images/help.png)
|
2016-03-11
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|