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- ChemComp-FN6: (2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanyl... -

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Basic information

EntryDatabase: PDB chemical components / ID: FN6
NameName: (2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid

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Chemical information

Composition
Formula: C10H16N4O4 / Number of atoms: 34 / Formula weight: 256.258 / Formal charge: 0
Others

7c9m

Type: non-polymer / PDB classification: HETAIN / Three letter code: FN6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7C9M
History
Create componentJun 8, 2020
Initial releaseApr 28, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385N[CH](CCN[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7c1c(nc[nH]1)CC(C(=O)O)NCCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7c1c(nc[nH]1)C[C@H](C(=O)O)NCC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C10H16N4O4/c11-7(9(15)16)1-2-13-8(10(17)18)3-6-4-12-5-14-6/h4-5,7-8,13H,1-3,11H2,(H,12,14)(H,15,16)(H,17,18)/t7-,8+/m0/s1

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InChIKey

InChI 1.03PQUPEWJRDBYFHU-JGVFFNPUSA-N

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PDB entries

Showing all 1 items

PDB-7c9m:
The structure of product-bound CntL, an aminobutyrate transferase in staphylopine biosynthesis

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