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- ChemComp-DNS: N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-L-LYSINE -

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Basic information

EntryDatabase: PDB chemical components / ID: DNS
NameName: N~6~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-lysine
Synonyms: DANSYLLYSINE; DNS-LYSINE; N(EPSILON)-DANSYL-L-LYSINE

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Chemical information

Composition
Formula: C18H25N3O4S / Number of atoms: 51 / Formula weight: 379.474 / Formal charge: 0
Others

1wz1

LYS

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: K / Three letter code: DNS / Model coordinates PDB-ID: 1WZ1 / Parent comp.: LYS
History
Create componentFeb 22, 2005
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / ChEBI / CompTox / DrugBank / Metabolights / Nikkaji / 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 10.04O=C(O)C(N)CCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
CACTVS 3.341CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23)/t15-/m0/s1

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InChIKey

InChI 1.03VQPRNSWQIAHPMS-HNNXBMFYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N~6~-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-lysine
OpenEye OEToolkits 1.5.0(2S)-2-amino-6-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]hexanoic acid

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PDB entries

Showing all 1 items

PDB-1wz1:
Crystal structure of the Fv fragment complexed with dansyl-lysine

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