Chemical Components in the PDB

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FK8 : Summary

Code

FK8

One-letter code

X

Molecule name

(phenylmethyl) carbamate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (phenylmethyl) carbamate

Formula

C8 H9 N O2

Formal charge

0

Molecular weight

151.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)OCc1ccccc1
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)COC(=O)N
Canonical SMILES CACTVS 3.385 NC(=O)OCc1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)COC(=O)N

IUPAC InChI

InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)

IUPAC InChI key

PUJDIJCNWFYVJX-UHFFFAOYSA-N
FK8

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

2018-07-16

Last modified at

2018-08-31

Status

Released

Obsoleted

Not Assigned