G6B

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

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

Find Related PDB Entry
1 entries where G6B is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	11

2D diagram of G6B

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide
Formula	C₁₄ H₁₆ N₄ O₂ S
Molecular Weight	304.367
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](N)C(=O)Nc1sc(c2cccc(N)c2)c(n1)C(C)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(C(=O)Nc1nc(c(s1)c2cccc(c2)N)C(=O)C)N
Canonical SMILES	CACTVS	3.385	C[C@@H](N)C(=O)Nc1sc(c2cccc(N)c2)c(n1)C(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)N)C(=O)C)N
InChI	InChI	1.03	InChI=1S/C14H16N4O2S/c1-7(15)13(20)18-14-17-11(8(2)19)12(21-14)9-4-3-5-10(16)6-9/h3-7H,15-16H2,1-2H3,(H,17,18,20)/t7-/m1/s1
InChIKey	InChI	1.03	NZFSZJLKZIHQBY-SSDOTTSWSA-N

Related Resource References

Resource Name	Reference
PubChem	137332100

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.