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- ChemComp-5ND: 5-(2-NAPHTHYLMETHYL)-D-HYDANTOIN -

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Basic information

EntryDatabase: PDB chemical components / ID: 5ND
NameName: 5-(2-naphthylmethyl)-D-hydantoin

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Chemical information

Composition
Formula: C14H12N2O2 / Number of atoms: 30 / Formula weight: 240.257 / Formal charge: 0
Others

4d1d

Type: non-polymer / PDB classification: HETAIN / Three letter code: 5ND / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4D1D
History
Create componentMay 1, 2014
Initial releaseJul 2, 2014
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

ACDLabs 12.01O=C1NC(=O)C(N1)Cc2ccc3c(c2)cccc3
CACTVS 3.385O=C1N[CH](Cc2ccc3ccccc3c2)C(=O)N1
OpenEye OEToolkits 1.7.6c1ccc2cc(ccc2c1)CC3C(=O)NC(=O)N3

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SMILES CANONICAL

CACTVS 3.385O=C1N[C@H](Cc2ccc3ccccc3c2)C(=O)N1
OpenEye OEToolkits 1.7.6c1ccc2cc(ccc2c1)C[C@@H]3C(=O)NC(=O)N3

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InChI

InChI 1.03InChI=1S/C14H12N2O2/c17-13-12(15-14(18)16-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2,(H2,15,16,17,18)/t12-/m1/s1

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InChIKey

InChI 1.03CHRJCAZBQNADBP-GFCCVEGCSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(5R)-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
OpenEye OEToolkits 1.7.6(5R)-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione

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PDB entries

Showing all 1 items

PDB-4d1d:
STRUCTURE OF MHP1, A NUCLEOBASE-CATION-SYMPORT-1 FAMILY TRANSPORTER with the inhibitor 5-(2-naphthylmethyl)-L-hydantoin.

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