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- ChemComp-4SQ: tetraglycine phosphinate -

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Basic information

EntryDatabase: PDB chemical components / ID: 4SQ
NameName: tetraglycine phosphinate

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Chemical information

Composition
Formula: C8H16N3O6P / Number of atoms: 34 / Formula weight: 281.203 / Formal charge: 0
Others

4zyb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4SQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ZYB
History
Create componentMay 21, 2015
Initial releaseOct 21, 2015
External linksUniChem / ChemSpider / PubChem / 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 12.01C(O)(CNC(CCP(CNC(CN)=O)(O)=O)=O)=O
CACTVS 3.385NCC(=O)NC[P](O)(=O)CCC(=O)NCC(O)=O
OpenEye OEToolkits 1.9.2C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O

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SMILES CANONICAL

CACTVS 3.385NCC(=O)NC[P](O)(=O)CCC(=O)NCC(O)=O
OpenEye OEToolkits 1.9.2C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O

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InChI

InChI 1.03InChI=1S/C8H16N3O6P/c9-3-7(13)11-5-18(16,17)2-1-6(12)10-4-8(14)15/h1-5,9H2,(H,10,12)(H,11,13)(H,14,15)(H,16,17)

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InChIKey

InChI 1.03UENGEQFXYOYUEI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-{3-[(R)-[(glycylamino)methyl](hydroxy)phosphoryl]propanoyl}glycine
OpenEye OEToolkits 1.9.22-[3-[(2-azanylethanoylamino)methyl-oxidanyl-phosphoryl]propanoylamino]ethanoic acid

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PDB entries

Showing all 1 items

PDB-4zyb:
High resolution structure of M23 peptidase LytM with substrate analogue

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