479

4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide

Created:	2015-02-11
Last modified:	2016-02-17

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4 entries where 479 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	11

2D diagram of 479

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Chemical Component Summary
Name	4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide
Systematic Name (OpenEye OEToolkits)	4-oxidanylidene-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-yl-butanamide
Formula	C₁₅ H₁₆ N₂ O₂ S
Molecular Weight	288.365
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1sccc1)CCC(=O)NC(c2cccnc2)C
SMILES	CACTVS	3.385	C[CH](NC(=O)CCC(=O)c1sccc1)c2cccnc2
SMILES	OpenEye OEToolkits	1.9.2	CC(c1cccnc1)NC(=O)CCC(=O)c2cccs2
Canonical SMILES	CACTVS	3.385	C[C@H](NC(=O)CCC(=O)c1sccc1)c2cccnc2
Canonical SMILES	OpenEye OEToolkits	1.9.2	C[C@@H](c1cccnc1)NC(=O)CCC(=O)c2cccs2
InChI	InChI	1.03	InChI=1S/C15H16N2O2S/c1-11(12-4-2-8-16-10-12)17-15(19)7-6-13(18)14-5-3-9-20-14/h2-5,8-11H,6-7H2,1H3,(H,17,19)/t11-/m0/s1
InChIKey	InChI	1.03	VFHVMIRVNCDBFW-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	40953428

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.