Chemical Components in the PDB

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WCW : Summary

Code

WCW

One-letter code

X

Molecule name

4-azanyl-1-phenyl-piperidine-4-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-azanyl-1-phenyl-piperidine-4-carboxylic acid

Formula

C12 H16 N2 O2

Formal charge

0

Molecular weight

220.268 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC1(CCN(CC1)c2ccccc2)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)N2CCC(CC2)(C(=O)O)N
Canonical SMILES CACTVS 3.385 NC1(CCN(CC1)c2ccccc2)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)N2CCC(CC2)(C(=O)O)N

IUPAC InChI

InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)

IUPAC InChI key

FPGAOFXYANTSRQ-UHFFFAOYSA-N
WCW

wwPDB Information

Atom count

32 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-05-12

Last modified at

2024-05-03

Status

Released

Obsoleted

Not Assigned