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- ChemComp-SSK: (1S,2S)-1,2-diphenylethane-1,2-diamine -

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Basic information

EntryDatabase: PDB chemical components / ID: SSK
NameName: (1S,2S)-1,2-diphenylethane-1,2-diamine

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Chemical information

Composition
Formula: C14H16N2 / Number of atoms: 32 / Formula weight: 212.29 / Formal charge: 0
Others

5xf4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SSK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5XF4
History
Create componentSep 3, 2015
Modify model coordinates codeOct 4, 2017
Initial releaseOct 11, 2017
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / PubChem / PubChem_TPharma / SureChEMBL / 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 12.01NC(C(N)c1ccccc1)c2ccccc2
CACTVS 3.385N[CH]([CH](N)c1ccccc1)c2ccccc2
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(C(c2ccccc2)N)N

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SMILES CANONICAL

CACTVS 3.385N[C@H]([C@@H](N)c1ccccc1)c2ccccc2
OpenEye OEToolkits 1.9.2c1ccc(cc1)[C@@H]([C@H](c2ccccc2)N)N

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InChI

InChI 1.03InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2/t13-,14-/m0/s1

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InChIKey

InChI 1.03PONXTPCRRASWKW-KBPBESRZSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(1S,2S)-1,2-diphenylethane-1,2-diamine
OpenEye OEToolkits 1.9.2(1S,2S)-1,2-diphenylethane-1,2-diamine

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PDB entries

Showing all 1 items

PDB-5xf4:
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (S,S-configuration)

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