42Z

N-[(5,6-dichloro-1H-benzimidazol-2-yl)carbonyl]glycine

Created:	2010-09-15
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where 42Z 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	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	10

2D diagram of 42Z

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-[(5,6-dichloro-1H-benzimidazol-2-yl)carbonyl]glycine
Systematic Name (OpenEye OEToolkits)	2-[(5,6-dichloro-1H-benzimidazol-2-yl)carbonylamino]ethanoic acid
Formula	C₁₀ H₇ Cl₂ N₃ O₃
Molecular Weight	288.087
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CNC(=O)c2nc1cc(Cl)c(Cl)cc1n2
SMILES	CACTVS	3.370	OC(=O)CNC(=O)c1[nH]c2cc(Cl)c(Cl)cc2n1
SMILES	OpenEye OEToolkits	1.7.0	c1c2c(cc(c1Cl)Cl)nc([nH]2)C(=O)NCC(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)CNC(=O)c1[nH]c2cc(Cl)c(Cl)cc2n1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1c2c(cc(c1Cl)Cl)nc([nH]2)C(=O)NCC(=O)O
InChI	InChI	1.03	InChI=1S/C10H7Cl2N3O3/c11-4-1-6-7(2-5(4)12)15-9(14-6)10(18)13-3-8(16)17/h1-2H,3H2,(H,13,18)(H,14,15)(H,16,17)
InChIKey	InChI	1.03	ALMZPAHRESNZRJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44469097
ChEMBL	CHEMBL1230217

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.