Chemical Components in the PDB

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FQV : Summary

Code

FQV

One-letter code

X

Molecule name

4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide
OpenEye OEToolkits 2.0.6 4-but-2-ynylselanylbenzenesulfonamide

Formula

C10 H11 N O2 S Se

Formal charge

0

Molecular weight

288.225 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(C)#CC[Se]c1ccc(cc1)S(N)(=O)=O
SMILES CACTVS 3.385 CC#CC[Se]c1ccc(cc1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.6 CC#CC[Se]c1ccc(cc1)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 CC#CC[Se]c1ccc(cc1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CC#CC[Se]c1ccc(cc1)S(=O)(=O)N

IUPAC InChI

InChI=1S/C10H11NO2SSe/c1-2-3-8-15-10-6-4-9(5-7-10)14(11,12)13/h4-7H,8H2,1H3,(H2,11,12,13)

IUPAC InChI key

SYXVSYLKIVCGJW-UHFFFAOYSA-N
FQV

wwPDB Information

Atom count

26 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-04-16

Last modified at

2018-06-08

Status

Released

Obsoleted

Not Assigned