Chemical Components in the PDB

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GPN : Summary

Code

GPN

One-letter code

X

Molecule name

2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE

Systematic names

ProgramVersionName
ACDLabs 12.01 2-{[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl](carboxymethyl)amino}ethanaminium
OpenEye OEToolkits 1.7.0 2-[2-(2-azanyl-6-oxo-1H-purin-9-yl)ethanoyl-(carboxymethyl)amino]ethylazanium

Formula

C11 H16 N7 O4

Formal charge

1

Molecular weight

310.289 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC[NH3+]
SMILES CACTVS 3.370 NC1=Nc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc2C(=O)N1
SMILES OpenEye OEToolkits 1.7.0 c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N
Canonical SMILES CACTVS 3.370 NC1=Nc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc2C(=O)N1
Canonical SMILES OpenEye OEToolkits 1.7.0 c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O)N=C(NC2=O)N

IUPAC InChI

InChI=1S/C11H15N7O4/c12-1-2-17(4-7(20)21)6(19)3-18-5-14-8-9(18)15-11(13)16-10(8)22/h5H,1-4,12H2,(H,20,21)(H3,13,15,16,22)/p+1

IUPAC InChI key

WYRWRGIGYVLOGE-UHFFFAOYSA-O
GPN

wwPDB Information

Atom count

38 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

PEPTIDE-LIKE

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned