WHZ

(1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid

Created:	2023-05-12
Last modified:	2023-06-14

Find Related PDB Entry
1 entries where WHZ is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	2
Bond Count	36
Aromatic Bond Count	6

2D diagram of WHZ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(1~{R},2~{S})-2-[(3,4-dichlorophenyl)carbonylamino]cyclohexane-1-carboxylic acid
Formula	C₁₄ H₁₅ Cl₂ N O₃
Molecular Weight	316.18
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1CCCCC1C(=O)O)c1ccc(Cl)c(Cl)c1
SMILES	CACTVS	3.385	OC(=O)[CH]1CCCC[CH]1NC(=O)c2ccc(Cl)c(Cl)c2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C(=O)NC2CCCCC2C(=O)O)Cl)Cl
Canonical SMILES	CACTVS	3.385	OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c2ccc(Cl)c(Cl)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C(=O)N[C@H]2CCCC[C@H]2C(=O)O)Cl)Cl
InChI	InChI	1.06	InChI=1S/C14H15Cl2NO3/c15-10-6-5-8(7-11(10)16)13(18)17-12-4-2-1-3-9(12)14(19)20/h5-7,9,12H,1-4H2,(H,17,18)(H,19,20)/t9-,12+/m1/s1
InChIKey	InChI	1.06	UNBOSHDTTWSTJX-SKDRFNHKSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.