VBY

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

Created:	2020-07-24
Last modified:	2020-08-05

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2 entries where VBY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	1
Bond Count	51
Aromatic Bond Count	17

2D diagram of VBY

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Chemical Component Summary
Name	5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Systematic Name (OpenEye OEToolkits)	2-methyl-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]-5-(prop-2-enoylamino)benzamide
Formula	C₂₃ H₂₂ N₂ O₂
Molecular Weight	358.433
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1c(ccc(c1)NC(\C=C)=O)C)(NC(c3cccc2c3cccc2)C)=O
SMILES	CACTVS	3.385	C[CH](NC(=O)c1cc(NC(=O)C=C)ccc1C)c2cccc3ccccc23
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)NC(=O)C=C
Canonical SMILES	CACTVS	3.385	C[C@@H](NC(=O)c1cc(NC(=O)C=C)ccc1C)c2cccc3ccccc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)C=C
InChI	InChI	1.03	InChI=1S/C23H22N2O2/c1-4-22(26)25-18-13-12-15(2)21(14-18)23(27)24-16(3)19-11-7-9-17-8-5-6-10-20(17)19/h4-14,16H,1H2,2-3H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKey	InChI	1.03	QMJFETCLZITVFG-MRXNPFEDSA-N

Related Resource References

Resource Name	Reference
PubChem	146681430

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.