HZU

(2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid

Created:	2022-01-03
Last modified:	2022-02-09

Find Related PDB Entry
1 entries where HZU 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	53
Chiral Atom Count	1
Bond Count	54
Aromatic Bond Count	12

2D diagram of HZU

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3-fluoropropanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-[[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]methyl]-3-fluoranyl-propanoic acid
Formula	C₁₉ H₂₅ F N₄ O₄
Molecular Weight	392.425
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(CF)C(=O)O
SMILES	CACTVS	3.385	CCc1nc(N)nc(N)c1OCCCOc2ccccc2C[CH](CF)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC(CF)C(=O)O
Canonical SMILES	CACTVS	3.385	CCc1nc(N)nc(N)c1OCCCOc2ccccc2C[C@H](CF)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@@H](CF)C(=O)O
InChI	InChI	1.03	InChI=1S/C19H25FN4O4/c1-2-14-16(17(21)24-19(22)23-14)28-9-5-8-27-15-7-4-3-6-12(15)10-13(11-20)18(25)26/h3-4,6-7,13H,2,5,8-11H2,1H3,(H,25,26)(H4,21,22,23,24)/t13-/m1/s1
InChIKey	InChI	1.03	CDIUQIVTNPRVDS-CYBMUJFWSA-N

Related Resource References

Resource Name	Reference
PubChem	162540414

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.