Chemical Components in the PDB

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RHX : Summary

Code

RHX

One-letter code

X

Molecule name

[2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III)

Systematic names

Not Assigned

Formula

C24 H19 N2 O2 Rh

Formal charge

0

Molecular weight

470.325 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [Rh]c1c(cccc1C2=N[CH](CO2)c3ccccc3)C4=N[CH](CO4)c5ccccc5
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4C(CO6)c7ccccc7
Canonical SMILES CACTVS 3.385 [Rh]c1c(cccc1C2=N[C@H](CO2)c3ccccc3)C4=N[C@H](CO4)c5ccccc5
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4[C@H](CO6)c7ccccc7

IUPAC InChI

InChI=1S/C24H19N2O2.Rh/c1-3-8-17(9-4-1)21-15-27-23(25-21)19-12-7-13-20(14-19)24-26-22(16-28-24)18-10-5-2-6-11-18;/h1-13,21-22H,15-16H2;/t21-,22-;/m1./s1

IUPAC InChI key

FCXWDODCDHPSDA-HLUKFBSCSA-N
RHX

wwPDB Information

Atom count

48 (29 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-02-23

Last modified at

2023-09-23

Status

Released

Obsoleted

Not Assigned