H-Arg-Arg-Trp-Cys(1)-Phe-Arg-Val-Cys(2)-Tyr-Lys-Gly-Tyr-Cys(2)-Tyr-Arg-Lys-Cys(1)-Arg-NH2

Base Information

• Chemical Name: H-Arg-Arg-Trp-Cys(1)-Phe-Arg-Val-Cys(2)-Tyr-Lys-Gly-Tyr-Cys(2)-Tyr-Arg-Lys-Cys(1)-Arg-NH2
• CAS No.: 125139-67-5
• Molecular Formula: C108H161 N39 O20 S4
• Molecular Weight: 2453.94
• Mol file: 125139-67-5.mol

Synonyms:polyphemusin I

Chemical Property of H-Arg-Arg-Trp-Cys(1)-Phe-Arg-Val-Cys(2)-Tyr-Lys-Gly-Tyr-Cys(2)-Tyr-Arg-Lys-Cys(1)-Arg-NH2

Chemical Property:

• Density: 1.54±0.1 g/cm3(Predicted)
• XLogP3: -3.2
• Hydrogen Bond Donor Count: 40
• Hydrogen Bond Acceptor Count: 33
• Rotatable Bond Count: 53
• Exact Mass: 2441.1584148
• Heavy Atom Count: 170
• Complexity: 5130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)CC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)N)CCCCN)CCCNC(=N)N)CC6=CC=C(C=C6)O)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC2=O)CC7=CC=C(C=C7)O)CCCCN)CC8=CC=C(C=C8)O
• Isomeric SMILES: CC(C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCCN)CCCNC(=N)N)CC6=CC=C(C=C6)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC7=CC=C(C=C7)O)CCCCN)CC8=CC=C(C=C8)O