BHZ

2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid

Created:	2010-05-20
Last modified:	2011-06-04

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3 entries where BHZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	12

2D diagram of BHZ

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Chemical Component Summary
Name	2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
Systematic Name (OpenEye OEToolkits)	2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
Formula	C₂₀ H₂₄ N₂ O₅
Molecular Weight	372.415
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2)CC(=O)O
SMILES	CACTVS	3.370	OC(=O)CN(CCN(CC(O)=O)Cc1ccccc1O)Cc2ccccc2
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)CN(CCN(Cc2ccccc2O)CC(=O)O)CC(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)CN(CCN(CC(O)=O)Cc1ccccc1O)Cc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)C[N@@](CC[N@](Cc2ccccc2O)CC(=O)O)CC(=O)O
InChI	InChI	1.03	InChI=1S/C20H24N2O5/c23-18-9-5-4-8-17(18)13-22(15-20(26)27)11-10-21(14-19(24)25)12-16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,24,25)(H,26,27)
InChIKey	InChI	1.03	JSDNXVMPVNBNSK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46891677

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.