Sarafotoxin S 6c (reduced)

Base Information

• Chemical Name: Sarafotoxin S 6c (reduced)
• CAS No.: 116495-45-5
• Molecular Formula: C103H151 N27 O37 S5
• Molecular Weight: 2529.82
• DSSTox Substance ID: DTXSID90151398
• Mol file: 116495-45-5.mol

Synonyms:Sarafotoxin S 6c (reduced);116495-45-5;Sarafotoxin c (reduced);Sarafotoxin 6c (reduced);DTXSID90151398

Chemical Property of Sarafotoxin S 6c (reduced)

Chemical Property:

• PSA: 1155.45000
• LogP: 1.25310
• Storage Temp.: −20°C
• XLogP3: -10.1
• Hydrogen Bond Donor Count: 38
• Hydrogen Bond Acceptor Count: 44
• Rotatable Bond Count: 80
• Exact Mass: 2518.9401295
• Heavy Atom Count: 172
• Complexity: 5550

Purity/Quality:

99% ^*data from raw suppliers

Sarafotoxin 6c, [Lys4]- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CN=CN3)NC(=O)C(CS)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CS)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CS)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CS)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)N