Chemical Components in the PDB

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G7N : Summary

Code

G7N

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide

Formula

C14 H17 N7 O2 S

Formal charge

0

Molecular weight

347.395 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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

IUPAC InChI key

GSSILESOVFXWIC-ZCFIWIBFSA-N
G7N

wwPDB Information

Atom count

41 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-30

Last modified at

2019-02-15

Status

Released

Obsoleted

Not Assigned