RCSB PDB - ZCL Ligand Summary Page

ZCL

3,4-dichloro-L-phenylalanine

Created: 2010-12-29
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count1
Bond Count23
Aromatic Bond Count6
2D diagram of ZCL

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Chemical Component Summary

Name3,4-dichloro-L-phenylalanine
Systematic Name (OpenEye OEToolkits)(2S)-2-azanyl-3-(3,4-dichlorophenyl)propanoic acid
FormulaC9 H9 Cl2 N O2
Molecular Weight234.079
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Clc1ccc(cc1Cl)CC(C(=O)O)N
SMILESCACTVS3.370N[CH](Cc1ccc(Cl)c(Cl)c1)C(O)=O
SMILESOpenEye OEToolkits1.7.0c1cc(c(cc1CC(C(=O)O)N)Cl)Cl
Canonical SMILESCACTVS3.370 N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl
InChIInChI1.03 InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
InChIKeyInChI1.03 NRCSJHVDTAAISV-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 2761498, 6993633