Chemical Components in the PDB

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WZY : Summary

Code

WZY

One-letter code

X

Molecule name

N-(4-methoxyphenyl)glycinamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(4-methoxyphenyl)glycinamide
OpenEye OEToolkits 2.0.7 2-azanyl-~{N}-(4-methoxyphenyl)ethanamide

Formula

C9 H12 N2 O2

Formal charge

0

Molecular weight

180.204 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(c1ccc(cc1)OC)C(CN)=O
SMILES CACTVS 3.385 COc1ccc(NC(=O)CN)cc1
SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)NC(=O)CN
Canonical SMILES CACTVS 3.385 COc1ccc(NC(=O)CN)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)NC(=O)CN

IUPAC InChI

InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)

IUPAC InChI key

MAVJTZKUNOKGPF-UHFFFAOYSA-N
WZY

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-11-19

Last modified at

2021-06-25

Status

Released

Obsoleted

Not Assigned