CID 16132346

Base Information

• Chemical Name: CID 16132346
• CAS No.: 80458-29-3
• Molecular Formula: C136H216 N36 O40
• Molecular Weight: 2995.39
• Mol file: 80458-29-3.mol

Synonyms:80458-29-3;CID 16132346;PHI 27;L-Isolecucinamide, L-histidyl-L-alanyl-L-alpha-aspartylglycyl-L-valyl-L-phenylalanyl-L-threonyl-L-seryl-L-alpha-aspartyl-L-phenylalanyl-L-seryl-L-arginyl-L-leucyl-L-leucylglycyl-L-glutaminyl-L-leucyl-L-seryl-L-alanyl-L-lysyl-L-lysyl-L-tyrosyl-L-leucyl-L-alpha-glutamyl-L-seryl-L-leucyl-;NCGC00167207-01

Chemical Property of CID 16132346

Chemical Property:

• PSA: 1244.70000
• Density: 1.44±0.1 g/cm3(Predicted)
• LogP: 2.84530
• Storage Temp.: −20°C
• XLogP3: -12.1
• Hydrogen Bond Donor Count: 44
• Hydrogen Bond Acceptor Count: 45
• Rotatable Bond Count: 102
• Exact Mass: 2994.6008106
• Heavy Atom Count: 212
• Complexity: 6710

Purity/Quality:

98%min ^*data from raw suppliers

PHI, PORCINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC4=CN=CN4)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CN=CN4)N