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- BIRD-PRD_002274: Acyldepsipeptide 9TS-PHE-SER-PRO-YCP-ALA-MP8 -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_002274
StatusStatus: REF ONLY
NameAcyldepsipeptide 9TS-PHE-SER-PRO-YCP-ALA-MP8

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BIRD information

TypeCyclic depsipeptide / Antibiotic
DownloadsMolecular definition / Chemical definition

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Chemical information

Composition
Formula: C37H50N6O8 / Formula weight: 706.828
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

ACDLabs 12.01C(\C=C\CC)(NC(C(=O)NC1C(=O)N4C(C(=O)N3C(C(=O)NC(C(=O)N2C(C(OC1)=O)CC(C2)C)C)CCCC3)CCC4)Cc5ccccc5)=O
CACTVS 3.385CCC=CC(=O)N[CH](Cc1ccccc1)C(=O)N[CH]2COC(=O)[CH]3C[CH](C)CN3C(=O)[CH](C)NC(=O)[CH]4CCCCN4C(=O)[CH]5CCCN5C2=O
OpenEye OEToolkits 2.0.6CCC=CC(=O)NC(Cc1ccccc1)C(=O)NC2COC(=O)C3CC(CN3C(=O)C(NC(=O)C4CCCCN4C(=O)C5CCCN5C2=O)C)C

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SMILES CANONICAL

CACTVS 3.385CC/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O
OpenEye OEToolkits 2.0.6CC/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C

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SYSTEMATIC NAME

ACDLabs 12.01N-[(6aR,12R,15aR,17R,21R,23aR)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-Nalpha-[(2E)-pent-2-enoyl]-L-phenylalaninamide #

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PDB entries

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PDB-5vz2:
Structure of ClpP from Staphylococcus aureus in complex with Acyldepsipeptide

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