LY7

N-[(2S)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide

Created:	2009-12-08
Last modified:	2011-06-04

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1 entries where LY7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	47
Aromatic Bond Count	13

2D diagram of LY7

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Chemical Component Summary
Name	N-[(2S)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide
Systematic Name (OpenEye OEToolkits)	N-[(2S)-2-[4-(4-cyanophenyl)phenyl]propyl]propane-2-sulfonamide
Formula	C₁₉ H₂₂ N₂ O₂ S
Molecular Weight	342.455
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)c2ccc(cc2)C#N
SMILES	OpenEye OEToolkits	1.7.0	CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)C#N
Canonical SMILES	CACTVS	3.352	CC(C)[S](=O)(=O)NC[C@@H](C)c1ccc(cc1)c2ccc(cc2)C#N
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N
InChI	InChI	1.03	InChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3/t15-/m1/s1
InChIKey	InChI	1.03	HOQAVGZLYRYHSO-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	44483218

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.