Histatin 5

Base Information

• Chemical Name: Histatin 5
• CAS No.: 115966-68-2
• Deprecated CAS: 104339-66-4,646451-08-3
• Molecular Formula: C133H195N51O33
• Molecular Weight: 3036.29
• ChEMBL ID: CHEMBL374426
• Mol file: 115966-68-2.mol

Synonyms:HISTATIN 5;DSHAKRHHGYKRKFHEKHHSHRGY;Salivary histatin 5;115966-68-2;UNII-4281SUF5M7;4281SUF5M7;Peptide F-A (human parotid saliva);H-Asp-Ser-His-Ala-Lys-Arg-His-His-Gly-Tyr-Lys-Arg-Lys-Phe-His-Glu-Lys-His-His-Ser-His-Arg-Gly-Tyr-OH;Hsn-5;CHEMBL374426;GLXC-26159

Chemical Property of Histatin 5

Chemical Property:

• PSA: 1378.68000
• Density: 1.57±0.1 g/cm3(Predicted)
• LogP: 1.42620
• XLogP3: -18.7
• Hydrogen Bond Donor Count: 51
• Hydrogen Bond Acceptor Count: 48
• Rotatable Bond Count: 105
• Exact Mass: 3035.5181927
• Heavy Atom Count: 217
• Complexity: 6770

Purity/Quality:

98%Min ^*data from raw suppliers

Histatin 5 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC5=CN=CN5)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC6=CN=CN6)C(=O)NC(CC7=CN=CN7)C(=O)NC(CO)C(=O)NC(CC8=CN=CN8)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC9=CC=C(C=C9)O)C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CO)NC(=O)C(CC(=O)O)N
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CN=CN5)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC6=CN=CN6)C(=O)N[C@@H](CC7=CN=CN7)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC8=CN=CN8)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC9=CC=C(C=C9)O)C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N