Chemical Components in the PDB

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WGP : Summary

Code

WGP

One-letter code

X

Molecule name

N,N-dimethyl-N~2~-phenylglycinamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N-dimethyl-N~2~-phenylglycinamide
OpenEye OEToolkits 2.0.7 ~{N},~{N}-dimethyl-2-phenylazanyl-ethanamide

Formula

C10 H14 N2 O

Formal charge

0

Molecular weight

178.231 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(CC(N(C)C)=O)c1ccccc1
SMILES CACTVS 3.385 CN(C)C(=O)CNc1ccccc1
SMILES OpenEye OEToolkits 2.0.7 CN(C)C(=O)CNc1ccccc1
Canonical SMILES CACTVS 3.385 CN(C)C(=O)CNc1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(C)C(=O)CNc1ccccc1

IUPAC InChI

InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3

IUPAC InChI key

MLCBUWNEWJFXJX-UHFFFAOYSA-N
WGP

wwPDB Information

Atom count

27 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-10-30

Last modified at

2020-11-06

Status

Released

Obsoleted

Not Assigned