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- ChemComp-L06: 5-{[AMINO(IMINO)METHYL]AMINO}-2-(SULFANYLMETHYL)PENTANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: L06
NameName: 5-{[amino(imino)methyl]amino}-2-(sulfanylmethyl)pentanoic acid

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Chemical information

Composition
Formula: C7H15N3O2S / Number of atoms: 28 / Formula weight: 205.278 / Formal charge: 0
Others

1zg9

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L06 / Model coordinates PDB-ID: 1ZG9
History
Create componentApr 28, 2005
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / PubChem / 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(CCCNC(=[N@H])N)CS
CACTVS 3.341NC(=N)NCCC[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(CS)C(=O)O)CNC(=N)N

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SMILES CANONICAL

CACTVS 3.341NC(=N)NCCC[C@@H](CS)C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](CS)C(=O)O)CNC(=N)N

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InChI

InChI 1.03InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)/t5-/m0/s1

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InChIKey

InChI 1.03JOVIPJZDTSYNNW-YFKPBYRVSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R)-5-carbamimidamido-2-(sulfanylmethyl)pentanoic acid
OpenEye OEToolkits 1.5.0(2R)-5-carbamimidamido-2-(sulfanylmethyl)pentanoic acid

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PDB entries

Showing all 1 items

PDB-1zg9:
Crystal Structure of 5-{[amino(imino)methyl]amino}-2-(sulfanylmethyl)pentanoic acid Bound to Activated Porcine Pancreatic Carboxypeptidase B

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