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- ChemComp-S2P: (2S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: S2P
NameName: (2S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid

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Chemical information

Composition
Formula: C5H7N3O3S / Number of atoms: 19 / Formula weight: 189.192 / Formal charge: 0
Others

3bft

ALA

Type: L-peptide linking / PDB classification: ATOMP / One letter code: A / Three letter code: S2P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3BFT / Parent comp.: ALA
History
Create componentNov 29, 2007
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
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

ACDLabs 10.04O=C(O)C(N)Cc1nsnc1O
CACTVS 3.341N[CH](Cc1nsnc1O)C(O)=O
OpenEye OEToolkits 1.5.0C(c1c(nsn1)O)C(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H](Cc1nsnc1O)C(O)=O
OpenEye OEToolkits 1.5.0C(c1c(nsn1)O)[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C5H7N3O3S/c6-2(5(10)11)1-3-4(9)8-12-7-3/h2H,1,6H2,(H,8,9)(H,10,11)/t2-/m0/s1

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InChIKey

InChI 1.03SEVVPWOEIHLQGH-REOHCLBHSA-N

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SYSTEMATIC NAME

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

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PDB entries

Showing all 1 items

PDB-3bft:
Structure of the ligand-binding core of GluR2 in complex with the agonist (S)-TDPA at 2.25 A resolution

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