G5W

(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

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

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1 entries where G5W is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	11

2D diagram of G5W

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Chemical Component Summary
Name	(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
Formula	C₁₅ H₁₇ N₃ O₃ S
Molecular Weight	319.379
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cccc(c1)c2sc(NC(=O)[CH](C)N)nc2C(C)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(C(=O)Nc1nc(c(s1)c2cccc(c2)OC)C(=O)C)N
Canonical SMILES	CACTVS	3.385	COc1cccc(c1)c2sc(NC(=O)[C@@H](C)N)nc2C(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)OC)C(=O)C)N
InChI	InChI	1.03	InChI=1S/C15H17N3O3S/c1-8(16)14(20)18-15-17-12(9(2)19)13(22-15)10-5-4-6-11(7-10)21-3/h4-8H,16H2,1-3H3,(H,17,18,20)/t8-/m1/s1
InChIKey	InChI	1.03	RXAAAHIWJRPSEA-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	137349399

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.