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- ChemComp-5A6: (2S)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 5A6
NameName: (2S)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid

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Chemical information

Composition
Formula: C11H20N4O3 / Number of atoms: 38 / Formula weight: 256.301 / Formal charge: 0
Others

5dg6

Type: peptide linking / PDB classification: HETAIN / Three letter code: 5A6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5DG6
History
Create componentAug 28, 2015
Initial releaseFeb 10, 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

ACDLabs 12.01O=C(C(N)CCc1nnc(CCCCCN)o1)O
CACTVS 3.385NCCCCCc1oc(CC[CH](N)C(O)=O)nn1
OpenEye OEToolkits 1.9.2C(CCc1nnc(o1)CCC(C(=O)O)N)CCN

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SMILES CANONICAL

CACTVS 3.385NCCCCCc1oc(CC[C@H](N)C(O)=O)nn1
OpenEye OEToolkits 1.9.2C(CCc1nnc(o1)CC[C@@H](C(=O)O)N)CCN

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InChI

InChI 1.03InChI=1S/C11H20N4O3/c12-7-3-1-2-4-9-14-15-10(18-9)6-5-8(13)11(16)17/h8H,1-7,12-13H2,(H,16,17)/t8-/m0/s1

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InChIKey

InChI 1.03XXNJPPZYKMFZTO-QMMMGPOBSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2S)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid
OpenEye OEToolkits 1.9.2(2S)-2-azanyl-4-[5-(5-azanylpentyl)-1,3,4-oxadiazol-2-yl]butanoic acid

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PDB entries

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