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- ChemComp-7TU: (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]met... -

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Basic information

EntryDatabase: PDB chemical components / ID: 7TU
NameName: (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole

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Chemical information

Composition
Formula: C38H34N4 / Number of atoms: 76 / Formula weight: 546.703 / Formal charge: 0
Others

7vpe

Type: non-polymer / PDB classification: HETAIN / Three letter code: 7TU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7VPE
History
Create componentOct 26, 2021
Initial releaseOct 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 3.385C(N1C=N[CH]([CH]1c2ccccc2)c3ccccc3)c4cccc(CN5C=N[CH]([CH]5c6ccccc6)c7ccccc7)c4
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2C(N(C=N2)Cc3cccc(c3)CN4C=NC(C4c5ccccc5)c6ccccc6)c7ccccc7

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SMILES CANONICAL

CACTVS 3.385C(N1C=N[C@H]([C@@H]1c2ccccc2)c3ccccc3)c4cccc(CN5C=N[C@H]([C@@H]5c6ccccc6)c7ccccc7)c4
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@H]2[C@@H](N(C=N2)Cc3cccc(c3)CN4C=N[C@H]([C@@H]4c5ccccc5)c6ccccc6)c7ccccc7

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InChI

InChI 1.03InChI=1S/C38H34N4/c1-5-16-31(17-6-1)35-37(33-20-9-3-10-21-33)41(27-39-35)25-29-14-13-15-30(24-29)26-42-28-40-36(32-18-7-2-8-19-32)38(42)34-22-11-4-12-23-34/h1-24,27-28,35-38H,25-26H2/t35-,36-,37-,38-/m0/s1

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InChIKey

InChI 1.03ZEPLDQLACIWPGK-ZQWQDMLBSA-N

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PDB entries

Showing all 1 items

PDB-7vpe:
Falcilysin in complex with A1

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