Myroridin KA (9CI)

Base Information

• Chemical Name: Myroridin KA (9CI)
• CAS No.: 74899-62-0
• Deprecated CAS: 71478-27-8
• Molecular Formula: C41H74N16O11
• Molecular Weight: 967.1269
• DSSTox Substance ID: DTXSID60225873
• Mol file: 74899-62-0.mol

Synonyms:Antibiotic K582M-A;Myroridin KA;Antibiotic K 582A;K582M-A;Myroridin KA (9CI);74899-62-0;D-Tyrosine, N-(N(2)-(N(2)-(N-(N(2)-(N(2)-L-arginyl-threo-4-hydroxy-L-arginyl)-D-ornithyl)-L-threonyl)-D-ornithyl)-L-lysyl)-;DTXSID60225873;C41H74N16O11;C41-H74-N16-O11;LS-158256

Chemical Property of Myroridin KA (9CI)

Chemical Property:

• PKA: 3.07±0.10(Predicted)
• Density: 1.5g/cm³
• XLogP3: -8.7
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 34
• Exact Mass: 966.57229724
• Heavy Atom Count: 68
• Complexity: 1640

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(C(=O)NC(CCCN)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CCCN)NC(=O)C(CC(CN=C(N)N)O)NC(=O)C(CCCN=C(N)N)N)O
• Isomeric SMILES: C[C@H]([C@@H](C(=O)N[C@H](CCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@@H](CCCN)NC(=O)[C@H](C[C@@H](CN=C(N)N)O)NC(=O)[C@H](CCCN=C(N)N)N)O