Chemical Components in the PDB

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TYL : Summary

Code

TYL

One-letter code

X

Molecule name

N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)

Systematic names

ProgramVersionName
ACDLabs 10.04 N-(4-hydroxyphenyl)acetamide
OpenEye OEToolkits 1.5.0 N-(4-hydroxyphenyl)ethanamide

Formula

C8 H9 N O2

Formal charge

0

Molecular weight

151.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc1ccc(O)cc1)C
SMILES CACTVS 3.341 CC(=O)Nc1ccc(O)cc1
SMILES OpenEye OEToolkits 1.5.0 CC(=O)Nc1ccc(cc1)O
Canonical SMILES CACTVS 3.341 CC(=O)Nc1ccc(O)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)Nc1ccc(cc1)O

IUPAC InChI

InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)

IUPAC InChI key

RZVAJINKPMORJF-UHFFFAOYSA-N
TYL

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned