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- ChemComp-VZP: N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea -

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Basic information

EntryDatabase: PDB chemical components / ID: VZP
NameName: N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea

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Chemical information

Composition
Formula: C9H18N2O3S / Number of atoms: 33 / Formula weight: 234.316 / Formal charge: 0
Others

5rq7
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: VZP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RQ7
History
Create componentSep 24, 2020
Initial releaseJan 13, 2021
External linksUniChem / ChemSpider / PubChem / 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 12.01N(C1CCS(C1)(=O)=O)(C(=O)NC(C)C)C
CACTVS 3.385CC(C)NC(=O)N(C)[CH]1CC[S](=O)(=O)C1
OpenEye OEToolkits 2.0.7CC(C)NC(=O)N(C)C1CCS(=O)(=O)C1

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SMILES CANONICAL

CACTVS 3.385CC(C)NC(=O)N(C)[C@@H]1CC[S](=O)(=O)C1
OpenEye OEToolkits 2.0.7CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1

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InChI

InChI 1.03InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1

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InChIKey

InChI 1.03RMWFRPZNASSVCZ-MRVPVSSYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
OpenEye OEToolkits 2.0.71-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-1-methyl-3-propan-2-yl-urea

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PDB entries

Showing all 3 items

PDB-5s2k:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z445856640

PDB-5sbt:
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z445856640

PDB-7hg8:
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z445856640

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