Y96

5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide

Created:	2020-11-10
Last modified:	2020-11-18

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2 entries where Y96 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	1
Bond Count	47
Aromatic Bond Count	17

2D diagram of Y96

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Chemical Component Summary
Name	5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Systematic Name (OpenEye OEToolkits)	5-[(~{E})-hydroxyiminomethyl]-2-methyl-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]benzamide
Formula	C₂₁ H₂₀ N₂ O₂
Molecular Weight	332.396
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1c(ccc(\C=N\O)c1)C)NC(C)c2cccc3c2cccc3
SMILES	CACTVS	3.385	C[CH](NC(=O)c1cc(ccc1C)C=NO)c2cccc3ccccc23
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)C=NO
Canonical SMILES	CACTVS	3.385	C[C@@H](NC(=O)c1cc(ccc1C)\C=N\O)c2cccc3ccccc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)/C=N/O
InChI	InChI	1.03	InChI=1S/C21H20N2O2/c1-14-10-11-16(13-22-25)12-20(14)21(24)23-15(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-13,15,25H,1-2H3,(H,23,24)/b22-13+/t15-/m1/s1
InChIKey	InChI	1.03	UTAGJMUNTWRPTE-IKMPRTQCSA-N

Related Resource References

Resource Name	Reference
PubChem	154815735

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.