Chemical Components in the PDB

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A1Z : Summary

Code

A1Z

One-letter code

X

Molecule name

Vadadustat

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-[[5-(3-chlorophenyl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid

Formula

C14 H11 Cl N2 O4

Formal charge

0

Molecular weight

306.701 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)CNC(=O)c1ncc(cc1O)c2cccc(Cl)c2
SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O
Canonical SMILES CACTVS 3.385 OC(=O)CNC(=O)c1ncc(cc1O)c2cccc(Cl)c2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O

IUPAC InChI

InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)

IUPAC InChI key

JGRXMPYUTJLTKT-UHFFFAOYSA-N
A1Z

wwPDB Information

Atom count

32 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-08-09

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned