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- BIRD-PRD_002327: PSEUDOTYROSTATIN (Bound Form) -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_002327
StatusStatus: REF ONLY
NamePSEUDOTYROSTATIN (Bound Form)

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BIRD information

TypePeptide-like / Inhibitor
DownloadsMolecular definition / Chemical definition

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Chemical information

Composition
Formula: C23H30N2O5 / Formula weight: 414.495
OthersType: peptide-like
History
External linksUniChem / ChemSpider / 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 3.385CC(C)CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)N[CH](CO)Cc2ccc(O)cc2
OpenEye OEToolkits 2.0.7CC(C)CC(=O)NC(Cc1ccc(cc1)O)C(=O)NC(Cc2ccc(cc2)O)CO

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SMILES CANONICAL

CACTVS 3.385CC(C)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)Cc2ccc(O)cc2
OpenEye OEToolkits 2.0.7CC(C)CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)CO

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.7~{N}-[(2~{S})-3-(4-hydroxyphenyl)-1-[[(2~{S})-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-3-methyl-butanamide #

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PDB entries

Showing all 1 items

PDB-6m9c:
PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Pseudotyrostatin

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