UL8

~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide

Created:	2021-03-01
Last modified:	2021-03-24

Find Related PDB Entry
1 entries where UL8 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	48
Chiral Atom Count	1
Bond Count	50
Aromatic Bond Count	17

2D diagram of UL8

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide
Formula	C₂₀ H₂₂ N₄ O₂
Molecular Weight	350.414
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCNC(=O)c1ccc(O[CH](C)c2ccccc2)c(c1)c3cn(C)nn3
SMILES	OpenEye OEToolkits	2.0.7	CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OC(C)c3ccccc3
Canonical SMILES	CACTVS	3.385	CCNC(=O)c1ccc(O[C@@H](C)c2ccccc2)c(c1)c3cn(C)nn3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)O[C@@H](C)c3ccccc3
InChI	InChI	1.03	InChI=1S/C20H22N4O2/c1-4-21-20(25)16-10-11-19(17(12-16)18-13-24(3)23-22-18)26-14(2)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKey	InChI	1.03	VZVLEUYPQRNNJB-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
PubChem	155818569

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.