Siamycin I

Base Information

• Chemical Name: Siamycin I
• CAS No.: 164802-68-0
• Deprecated CAS: 164366-13-6,165133-60-8
• Molecular Formula: C97H131 N23 O26 S4
• Molecular Weight: 2163.48
• DSSTox Substance ID: DTXSID70167811
• Metabolomics Workbench ID: 98687
• Wikidata: Q83037290
• Mol file: 164802-68-0.mol

Synonyms:BMY 29304;BMY-29304;siamycin I;siamycin II, Val(4)-

Chemical Property of Siamycin I

Chemical Property:

• PSA: 848.94000
• LogP: 2.16980
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 26
• Hydrogen Bond Acceptor Count: 30
• Rotatable Bond Count: 22
• Exact Mass: 2162.8552009
• Heavy Atom Count: 150
• Complexity: 4720

Purity/Quality:

99% ^*data from raw suppliers

SiamycinI ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(=O)NC(C(=O)NC(CSSCC2C(=O)NC(C(=O)NC3CC(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)C)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)C(NC(=O)C(NC3=O)CC5=CC=CC=C5)C)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N2)CO)C(C)C)CC(C)C)CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)O)C(C)C
• Isomeric SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H]3CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CC5=CC=CC=C5)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2)CO)C(C)C)CC(C)C)CC(=O)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)O)C(C)C
• Uses: Siamycin I is an MLCK and Fsr puorum sensing inhibitor for proteomics research.