BIRD-PRD_002372: ACE-VAL-ARG-MET-QZA

Basic information

• Entry: Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_002372
• Status: Status: REF ONLY
• Name: ACE-VAL-ARG-MET-QZA

BIRD information

• Type: Oligopeptide / Inhibitor
• Downloads: Molecular definition / Chemical definition

Chemical information

Composition

Formula: C₂₂H₄₃ClN₇O₅S / Formula weight: 553.139

• Others: Type: peptide-like

History

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

Details

SMILES

• CACTVS 3.385: CSCC[CH](NC(=O)[CH](CCCNC(N)=[NH2+])NC(=O)[CH](NC(C)=O)C(C)C)C(=O)N[CH](C)[CH](O)CCl
• OpenEye OEToolkits 2.0.7: CC(C)C(C(=O)NC(CCCNC(=[NH2+])N)C(=O)NC(CCSC)C(=O)NC(C)C(CCl)O)NC(=O)C

SMILES CANONICAL

• CACTVS 3.385: CSCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](C)[C@@H](O)CCl
• OpenEye OEToolkits 2.0.7: C[C@@H]([C@H](CCl)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](C(C)C)NC(=O)C

SYSTEMATIC NAME

• OpenEye OEToolkits 2.0.7: [[[(4~{S})-4-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-5-[[(2~{S})-1-[[(2~{S},3~{R})-4-chloranyl-3-oxidanyl-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]amino]-azanyl-methylidene]azanium #

PDB entries

Showing all 1 items

PDB-6vj8:
Crystal structure of GlpG in complex with peptide chloromethylketone inhibitor