Chemical Components in the PDB

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NF : Summary

Code

NF

One-letter code

X

Molecule name

N,N'-(3,7-DIAZANONYLENE)-BIS-NAPHTHALIMIDE

Synonyms

LU-79553

Systematic names

ProgramVersionName
ACDLabs 10.04 N,N'-bis[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]propane-1,3-diaminium

Formula

C31 H30 N4 O4

Formal charge

2

Molecular weight

522.594 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C3c1c2c(ccc1)cccc2C(=O)N3CC[NH2+]CCC[NH2+]CCN6C(=O)c5cccc4cccc(c45)C6=O
SMILES CACTVS 3.341 O=C1N(CC[NH2+]CCC[NH2+]CCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc6cccc1c56
SMILES OpenEye OEToolkits 1.5.0 c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4C(=O)c5cccc6c5c(ccc6)C4=O
Canonical SMILES CACTVS 3.341 O=C1N(CC[NH2+]CCC[NH2+]CCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c5cccc6cccc1c56
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4C(=O)c5cccc6c5c(ccc6)C4=O

IUPAC InChI

InChI=1S/C31H28N4O4/c36-28-22-10-1-6-20-7-2-11-23(26(20)22)29(37)34(28)18-16-32-14-5-15-33-17-19-35-30(38)24-12-3-8-21-9-4-13-25(27(21)24)31(35)39/h1-4,6-13,32-33H,5,14-19H2/p+2

IUPAC InChI key

QUNOQBDEVTWCTA-UHFFFAOYSA-P
NF

wwPDB Information

Atom count

69 (39 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-09-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned