Chemical Components in the PDB

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RHL : Summary

Code

RHL

One-letter code

X

Molecule name

[N,N-di(pyridin-2-yl-kappaN)dodecanamide]rhodium

Systematic names

ProgramVersionName
ACDLabs 12.01 [N,N-di(pyridin-2-yl-kappaN)dodecanamide]rhodium

Formula

C22 H31 N3 O Rh

Formal charge

0

Molecular weight

456.407 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N1c3n([Rh]n2c1cccc2)cccc3)CCCCCCCCCCC
SMILES CACTVS 3.370 [Rh]|1|n2ccccc2N(C(=O)CCCCCCCCCCC)c3ccccn|13
SMILES OpenEye OEToolkits 1.7.6 CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]3=CC=CC=C31
Canonical SMILES CACTVS 3.370 [Rh]|1|n2ccccc2N(C(=O)CCCCCCCCCCC)c3ccccn|13
Canonical SMILES OpenEye OEToolkits 1.7.6 CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N]3=CC=CC=C31

IUPAC InChI

InChI=1S/C22H31N3O.Rh/c1-2-3-4-5-6-7-8-9-10-17-22(26)25(20-15-11-13-18-23-20)21-16-12-14-19-24-21;/h11-16,18-19H,2-10,17H2,1H3;

IUPAC InChI key

ZXPSHQNTCOAEBQ-UHFFFAOYSA-N
RHL

wwPDB Information

Atom count

58 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-05-27

Last modified at

2013-08-30

Status

Released

Obsoleted

Not Assigned