![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
LDK : Summary
Code ![](/pdbe/static/images/help.png)
|
LDK
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
(2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C10 H16 N2 O10 S
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
356.306 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
OC(=O)CC[CH](N[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
C(CC(=O)O)C(C(=O)O)NS(=O)(=O)NC(CCC(=O)O)C(=O)O |
Canonical SMILES
|
CACTVS |
3.385 |
OC(=O)CC[C@H](N[S](=O)(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H16N2O10S/c13-7(14)3-1-5(9(17)18)11-23(21,22)12-6(10(19)20)2-4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VLYWUCXOEFVQPS-WDSKDSINSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
39 (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)
|
2019-08-05
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-08-21
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|