G7N Ligand Summary Page - RCSB PDB

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229,183 Structures from the PDB 1,068,577 Computed Structure Models (CSM)

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Data API G7N

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

Created:	2018-08-30
Last modified:	2019-02-20

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1 entries where G7N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	42
Aromatic Bond Count	11

Toggle HydrogenToggle Labels

Chemical Component Summary
Name	(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
Formula	C14 H17 N7 O2 S
Molecular Weight	347.395
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](NC(N)=N)C(=O)Nc1sc(c2cncc(N)c2)c(n1)C(C)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C)NC(=N)N
Canonical SMILES	CACTVS	3.385	C[C@@H](NC(N)=N)C(=O)Nc1sc(c2cncc(N)c2)c(n1)C(C)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	[H]/N=C(/N)\N[C@H](C)C(=O)Nc1nc(c(s1)c2cc(cnc2)N)C(=O)C
InChI	InChI	1.03	InChI=1S/C14H17N7O2S/c1-6(19-13(16)17)12(23)21-14-20-10(7(2)22)11(24-14)8-3-9(15)5-18-4-8/h3-6H,15H2,1-2H3,(H4,16,17,19)(H,20,21,23)/t6-/m1/s1
InChIKey	InChI	1.03	GSSILESOVFXWIC-ZCFIWIBFSA-N

Related Resource References

Resource Name	Reference
PubChem	137332101

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