Chemical Components in the PDB

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PNT : Summary

Code

PNT

One-letter code

X

Molecule name

1,5-BIS(4-AMIDINOPHENOXY)PENTANE

Systematic names

ProgramVersionName
ACDLabs 10.04 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide
OpenEye OEToolkits 1.5.0 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide

Formula

C19 H24 N4 O2

Formal charge

0

Molecular weight

340.419 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N@H])N)cc2
SMILES CACTVS 3.341 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N
Canonical SMILES CACTVS 3.341 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N

IUPAC InChI

InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)

IUPAC InChI key

XDRYMKDFEDOLFX-UHFFFAOYSA-N
PNT

wwPDB Information

Atom count

49 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAD

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned