Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

LDK : Summary

Code

LDK

One-letter code

X

Molecule name

(2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid

Formula

C10 H16 N2 O10 S

Formal charge

0

Molecular weight

356.306 Da

SMILES

TypeProgramVersionDescriptor
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

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

VLYWUCXOEFVQPS-WDSKDSINSA-N
LDK

wwPDB Information

Atom count

39 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-05

Last modified at

2020-08-21

Status

Released

Obsoleted

Not Assigned