Chemical Components in the PDB

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SBI : Summary

Code

SBI

One-letter code

X

Molecule name

SORBINIL

Systematic names

ProgramVersionName
ACDLabs 10.04 (4S)-6-fluoro-2,3-dihydro-2'H,5'H-spiro[chromene-4,4'-imidazolidine]-2',5'-dione
OpenEye OEToolkits 1.5.0 (4S)-6-fluorospiro[chroman-4,5'-imidazolidine]-2',4'-dione

Formula

C11 H9 F N2 O3

Formal charge

0

Molecular weight

236.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Fc3ccc2OCCC1(C(=O)NC(=O)N1)c2c3
SMILES CACTVS 3.341 Fc1ccc2OCC[C]3(NC(=O)NC3=O)c2c1
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1F)C3(CCO2)C(=O)NC(=O)N3
Canonical SMILES CACTVS 3.341 Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1F)[C@@]3(CCO2)C(=O)NC(=O)N3

IUPAC InChI

InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1

IUPAC InChI key

LXANPKRCLVQAOG-NSHDSACASA-N
SBI

wwPDB Information

Atom count

26 (17 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