BIRD-PRD_002368: cyclo-Mle-Phe-Mle-D-Phe. D-Phe analogue of pseudoxylallemycin A

Basic information

• Entry: Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_002368
• Status: Status: REF ONLY
• Name: cyclo-Mle-Phe-Mle-D-Phe. D-Phe analogue of pseudoxylallemycin A

BIRD information

• Type: Cyclic peptide / Antibiotic
• Downloads: Molecular definition / Chemical definition

Chemical information

Composition

Formula: C₃₂H₄₄N₄O₄ / Formula weight: 548.716

• Others: Type: peptide-like

History

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: CC(C)C[CH]1N(C)C(=O)[CH](Cc2ccccc2)NC(=O)[CH](CC(C)C)N(C)C(=O)[CH](Cc3ccccc3)NC1=O
• OpenEye OEToolkits 2.0.7: CC(C)CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N1C)Cc2ccccc2)CC(C)C)C)Cc3ccccc3

SMILES CANONICAL

• CACTVS 3.385: CC(C)C[C@@H]1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc3ccccc3)NC1=O
• OpenEye OEToolkits 2.0.7: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1C)Cc2ccccc2)CC(C)C)C)Cc3ccccc3

SYSTEMATIC NAME

• OpenEye OEToolkits 2.0.7: (3~{R},6~{S},9~{S},12~{S})-1,7-dimethyl-6,12-bis(2-methylpropyl)-3,9-bis(phenylmethyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone #

PDB entries

Showing all 1 items

PDB-6mw2:
cyclo-Mle-Phe-Mle-D-Phe. D-Phe analogue of pseudoxylallemycin A.