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- ChemComp-QUS: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: QUS
NameName: (S)-2-amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid
Synonyms: QUISQUALATE
Commentagonist*YM

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Chemical information

Composition
Formula: C5H7N3O5 / Number of atoms: 20 / Formula weight: 189.126 / Formal charge: 0
Others

1mm6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: QUS / Model coordinates PDB-ID: 1MM6
History
Create componentSep 5, 2002
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / KEGG_Ligand / NMRShiftDB / 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 10.04O=C1NC(=O)ON1CC(N)C(=O)O
CACTVS 3.341N[CH](CN1OC(=O)NC1=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)N1C(=O)NC(=O)O1

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SMILES CANONICAL

CACTVS 3.341N[C@@H](CN1OC(=O)NC1=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1

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InChI

InChI 1.03InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1

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InChIKey

InChI 1.03ASNFTDCKZKHJSW-REOHCLBHSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine
OpenEye OEToolkits 1.5.0(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid

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