BIRD-PRD_002399: Unknown entry

Basic information

• Entry: Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_002399
• Status: Status: REF ONLY

BIRD information

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

Chemical information

Composition

Formula: C₄₅H₆₈N₁₀O₁₁S / Formula weight: 957.147

• Others: Type: peptide-like

History

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

Details

SMILES

• CACTVS 3.385: CCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)[CH]2CCCN2C(=O)[CH](CCC(O)=O)NC(=O)[CH]3C[CH](O)CN3C(=O)[CH](Cc4ccccc4CN)NC(=O)[CH]5CCCN5C(=O)[CH](CS)NC1=O
• OpenEye OEToolkits 2.0.7: CCCCC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N3CC(CC3C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)N1)CCCCN)CCC(=O)O)O)Cc5ccccc5CN)CS

SMILES CANONICAL

• CACTVS 3.385: CCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](Cc4ccccc4CN)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](CS)NC1=O
• OpenEye OEToolkits 2.0.7: CCCC[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N4CCC[C@@H]4C(=O)N[C@@H](C(=O)N1)CCCCN)CCC(=O)O)O)Cc5ccccc5CN)CS

PDB entries

Showing all 1 items

PDB-6xci:
Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D