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- ChemComp-LWZ: 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: LWZ
NameName: 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide

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Chemical information

Composition
Formula: C6H10N4OS2 / Number of atoms: 23 / Formula weight: 218.3 / Formal charge: 0
Others

6sxd
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LWZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6SXD
History
Create componentSep 25, 2019
Initial releaseAug 5, 2020
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 3.385SC(S)CC(=O)NCc1c[nH]nn1
OpenEye OEToolkits 2.0.7c1c(nn[nH]1)CNC(=O)CC(S)S

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SMILES CANONICAL

CACTVS 3.385SC(S)CC(=O)NCc1c[nH]nn1
OpenEye OEToolkits 2.0.7c1c(nn[nH]1)CNC(=O)CC(S)S

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InChI

InChI 1.03InChI=1S/C6H10N4OS2/c11-5(1-6(12)13)7-2-4-3-8-10-9-4/h3,6,12-13H,1-2H2,(H,7,11)(H,8,9,10)

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InChIKey

InChI 1.03AIOYUZNWKHEZES-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6t7f:
RCR E3 ligase E2-Ubiquitin transthiolation intermediate

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