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- ChemComp-5LF: (2~{S})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoi... -

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Basic information

EntryDatabase: PDB chemical components / ID: 5LF
NameName: (2~{S})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid

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Chemical information

Composition
Formula: C11H21N5O2 / Number of atoms: 39 / Formula weight: 255.317 / Formal charge: 0
Others

5e0j

Type: peptide linking / PDB classification: ATOMP / Three letter code: 5LF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5E0J
History
Create componentOct 19, 2015
Initial releaseMay 4, 2016
External linksUniChem / ChemSpider / 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

CACTVS 3.385NCCCCCCn1cc(C[CH](N)C(O)=O)nn1
OpenEye OEToolkits 2.0.4c1c(nnn1CCCCCCN)CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.385NCCCCCCn1cc(C[C@H](N)C(O)=O)nn1
OpenEye OEToolkits 2.0.4c1c(nnn1CCCCCCN)C[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C11H21N5O2/c12-5-3-1-2-4-6-16-8-9(14-15-16)7-10(13)11(17)18/h8,10H,1-7,12-13H2,(H,17,18)/t10-/m0/s1

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InChIKey

InChI 1.03KOUNDXGKKSOPJO-JTQLQIEISA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.4(2~{S})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid

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PDB entries

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