Chemical Components in the PDB

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FID : Summary

Code

FID

One-letter code

X

Molecule name

(2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE

Synonyms

FIDARESTAT

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide
OpenEye OEToolkits 1.5.0 (2S,4S)-6-fluoro-2',5'-dioxo-spiro[chroman-4,4'-imidazolidine]-2-carboxamide

Formula

C12 H10 F N3 O4

Formal charge

0

Molecular weight

279.224 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3
SMILES CACTVS 3.341 NC(=O)[CH]1C[C]2(NC(=O)NC2=O)c3cc(F)ccc3O1
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1F)C3(CC(O2)C(=O)N)C(=O)NC(=O)N3
Canonical SMILES CACTVS 3.341 NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c3cc(F)ccc3O1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3

IUPAC InChI

InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1

IUPAC InChI key

WAAPEIZFCHNLKK-UFBFGSQYSA-N
FID

wwPDB Information

Atom count

30 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-02-14

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned