Calcineurin substrate

Base Information

• Chemical Name: Calcineurin substrate
• CAS No.: 113873-67-9
• Molecular Formula: C92H150 N28 O29
• Molecular Weight: 2112.35
• DSSTox Substance ID: DTXSID20583284
• Wikidata: Q82474823
• Mol file: 113873-67-9.mol

Synonyms:Calcineurin substrate;113873-67-9;L-Glutamic acid, L-alpha-aspartyl-L-leucyl-L-alpha-aspartyl-L-valyl-L-prolyl-L-isoleucyl-L-prolylglycyl-L-arginyl-L-phenylalanyl-L-alpha-aspartyl-L-arginyl-L-arginyl-L-valyl-L-seryl-L-valyl-L-alanyl-L-alanyl-;DTXSID20583284;Calcineurin substrate, >=97% (HPLC);AS-79963;PD150550;L-alpha-Aspartyl-L-leucyl-L-alpha-aspartyl-L-valyl-L-prolyl-L-isoleucyl-L-prolylglycyl-L-arginyl-L-phenylalanyl-L-alpha-aspartyl-L-arginyl-L-arginyl-L-valyl-L-seryl-L-valyl-L-alanyl-L-alanyl-L-glutamic acid

Chemical Property of Calcineurin substrate

Chemical Property:

• PSA: 924.67000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 1.58550
• Storage Temp.: −20°C
• XLogP3: -6.9
• Hydrogen Bond Donor Count: 32
• Hydrogen Bond Acceptor Count: 33
• Rotatable Bond Count: 69
• Exact Mass: 2111.1123509
• Heavy Atom Count: 149
• Complexity: 4690

Purity/Quality:

99% ^*data from raw suppliers

Calcineurin substrate ≥97% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)N