Chemical Components in the PDB

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LOK : Summary

Code

LOK

One-letter code

X

Molecule name

methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate

Formula

C10 H12 N2 O4

Formal charge

0

Molecular weight

224.213 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COC(=O)Nc1cccc(NC(=O)OC)c1
SMILES OpenEye OEToolkits 2.0.7 COC(=O)Nc1cccc(c1)NC(=O)OC
Canonical SMILES CACTVS 3.385 COC(=O)Nc1cccc(NC(=O)OC)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 COC(=O)Nc1cccc(c1)NC(=O)OC

IUPAC InChI

InChI=1S/C10H12N2O4/c1-15-9(13)11-7-4-3-5-8(6-7)12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)

IUPAC InChI key

BQFREXSKWBUSAP-UHFFFAOYSA-N
LOK

wwPDB Information

Atom count

28 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-08-29

Last modified at

2019-09-27

Status

Released

Obsoleted

Not Assigned