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- ChemComp-FID: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-... -

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Basic information

EntryDatabase: PDB chemical components / ID: FID
NameName: (2S,4S)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione
Synonyms: FIDARESTAT
Commentinhibitor*YM

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Chemical information

Composition
Formula: C12H10FN3O4 / Number of atoms: 30 / Formula weight: 279.224 / Formal charge: 0
Others

1ef3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FID / Model coordinates PDB-ID: 1EF3
History
Create componentFeb 14, 2000
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.341NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c3cc(F)ccc3O1
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03WAAPEIZFCHNLKK-UFBFGSQYSA-N

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SYSTEMATIC NAME

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

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