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- ChemComp-1ZT: N-acetyl-L-cysteine -

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Basic information

EntryDatabase: PDB chemical components / ID: 1ZT
Status

SC2

Status: Obsoleted / Replaced by: SC2
NameName: N-acetyl-L-cysteine
Commentmedication*YM

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Chemical information

Composition
Formula: C5H9NO3S / Number of atoms: 19 / Formula weight: 163.195 / Formal charge: 0
Others

207l

ACE

CYS

Type: peptide-like / PDB classification: HETAIN / Three letter code: 1ZT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 207l / Model coordinates details: not provided / Subcomponent: ACE, CYS
History
Create componentAug 27, 2008
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 12.01O=C(NC(C(=O)O)CS)C
CACTVS 3.370CC(=O)N[CH](CS)C(O)=O
OpenEye OEToolkits 1.7.0CC(=O)NC(CS)C(=O)O

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SMILES CANONICAL

CACTVS 3.370CC(=O)N[C@@H](CS)C(O)=O
OpenEye OEToolkits 1.7.0CC(=O)N[C@@H](CS)C(=O)O

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InChI

InChI 1.02InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1

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InChIKey

InChI 1.02PWKSKIMOESPYIA-BYPYZUCNSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-acetyl-L-cysteine
OpenEye OEToolkits 1.7.0(2R)-2-acetamido-3-sulfanyl-propanoic acid

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PDB entries

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