Chemical Components in the PDB

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L8N : Summary

Code

L8N

One-letter code

X

Molecule name

phenyl-(4-sulfamoylphenoxy)phosphinic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 phenyl-(4-sulfamoylphenoxy)phosphinic acid

Formula

C12 H12 N O5 P S

Formal charge

0

Molecular weight

313.266 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(O[P](O)(=O)c2ccccc2)cc1
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(O[P](O)(=O)c2ccccc2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N

IUPAC InChI

InChI=1S/C12H12NO5PS/c13-20(16,17)12-8-6-10(7-9-12)18-19(14,15)11-4-2-1-3-5-11/h1-9H,(H,14,15)(H2,13,16,17)

IUPAC InChI key

HADGOFIYAKWMTA-UHFFFAOYSA-N
L8N

wwPDB Information

Atom count

32 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-29

Last modified at

2020-06-05

Status

Released

Obsoleted

Not Assigned