Palmitoyl(3)-cysteinyl-seryl-(HIV-1(598-609)cyclic disulfide)

Base Information

• Chemical Name: Palmitoyl(3)-cysteinyl-seryl-(HIV-1(598-609)cyclic disulfide)
• CAS No.: 119320-04-6
• Molecular Formula: C113H196 N16 O22 S3
• Molecular Weight: 2227.05
• Mol file: 119320-04-6.mol

Synonyms:HIV-1 PCS cyclic disulfide;palmitoyl(3)-cysteinyl-seryl-(HIV-1(598-609)cyclic disulfide);Pam(3)Cys-Ser-(HIV-1(598-609)cyclic disulfide)

Chemical Property of Palmitoyl(3)-cysteinyl-seryl-(HIV-1(598-609)cyclic disulfide)

Chemical Property:

• Boiling Point: 1920.4±65.0 °C(Predicted)
• PKA: 2.96±0.70(Predicted)
• Density: 1.19±0.1 g/cm3(Predicted)
• XLogP3: 19.4
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 97
• Exact Mass: 2226.39058030
• Heavy Atom Count: 154
• Complexity: 3990

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)NC(C=S)C(=O)NC(CO)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CS)C(=O)O
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H](C=S)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)O