G7B

2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide

Created:	2018-08-29
Last modified:	2019-02-20

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1 entries where G7B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	5

2D diagram of G7B

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Chemical Component Summary
Name	2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
Systematic Name (OpenEye OEToolkits)	2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
Formula	C₉ H₁₃ N₃ O₂ S
Molecular Weight	227.283
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)c1csc(NC(=O)C(C)(C)N)n1
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)c1csc(n1)NC(=O)C(C)(C)N
Canonical SMILES	CACTVS	3.385	CC(=O)c1csc(NC(=O)C(C)(C)N)n1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)c1csc(n1)NC(=O)C(C)(C)N
InChI	InChI	1.03	InChI=1S/C9H13N3O2S/c1-5(13)6-4-15-8(11-6)12-7(14)9(2,3)10/h4H,10H2,1-3H3,(H,11,12,14)
InChIKey	InChI	1.03	FFVMFJPYEKSYFF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	64557722

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.