Chemical Components in the PDB

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YWV : Summary

Code

YWV

One-letter code

X

Molecule name

[Ru2(DPhF)(Formate)]

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane

Formula

C14 H14 N2 O2 Ru2

Formal charge

0

Molecular weight

444.413 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)N2CN([Ru]3[Ru]2OCO3)c4ccccc4
Canonical SMILES CACTVS 3.385 C1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)N2CN([Ru]3[Ru]2OCO3)c4ccccc4

IUPAC InChI

InChI=1S/C13H12N2.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3;;/h1-10H,11H2;1H2;;/q2*-2;2*+2

IUPAC InChI key

CVNAOZKWKIHKRL-UHFFFAOYSA-N
YWV

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

D-beta-peptide, C-gamma linking

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-06-22

Last modified at

2023-09-08

Status

Released

Obsoleted

Not Assigned