Chemical Components in the PDB

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EZC : Summary

Code

EZC

One-letter code

X

Molecule name

2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid

Formula

C20 H24 Cl2 O4

Formal charge

0

Molecular weight

399.308 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCC[C]1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
SMILES OpenEye OEToolkits 2.0.7 CCCCC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3
Canonical SMILES CACTVS 3.385 CCCC[C@@]1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCC[C@@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3

IUPAC InChI

InChI=1S/C20H24Cl2O4/c1-2-3-8-20(13-6-4-5-7-13)10-12-9-14(26-11-15(23)24)17(21)18(22)16(12)19(20)25/h9,13H,2-8,10-11H2,1H3,(H,23,24)/t20-/m1/s1

IUPAC InChI key

YAWWQIFONIPBKT-HXUWFJFHSA-N
EZC

wwPDB Information

Atom count

50 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-02-27

Last modified at

2020-10-30

Status

Released

Obsoleted

Not Assigned