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- ChemComp-V85: (2R)-N,3-diphenyl-2-sulfanyl-propanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: V85
NameName: (2R)-N,3-diphenyl-2-sulfanyl-propanamide / Synonyms: N,3-diphenyl-2-sulfanylpropanamide; 113905928

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Chemical information

Composition
Formula: C15H15NOS / Number of atoms: 33 / Formula weight: 257.351 / Formal charge: 0
Others

7oc7

Type: non-polymer / PDB classification: HETAIN / Three letter code: V85 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OC7
History
Create componentApr 26, 2021
Initial releaseJan 19, 2022
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 3.385S[CH](Cc1ccccc1)C(=O)Nc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC(C(=O)Nc2ccccc2)S

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SMILES CANONICAL

CACTVS 3.385S[C@H](Cc1ccccc1)C(=O)Nc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C[C@H](C(=O)Nc2ccccc2)S

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InChI

InChI 1.03InChI=1S/C15H15NOS/c17-15(16-13-9-5-2-6-10-13)14(18)11-12-7-3-1-4-8-12/h1-10,14,18H,11H2,(H,16,17)/t14-/m1/s1

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InChIKey

InChI 1.03TVHPOGBEVUIJPE-CQSZACIVSA-N

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PDB entries

Showing all 1 items

PDB-7oc7:
LasB, alpha-alkyl-N-aryl mercaptoacetamide

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