CORTISTATIN-14

Base Information

• Chemical Name: CORTISTATIN-14
• CAS No.: 186901-48-4
• Molecular Formula: C81H114 N20 O18 S2
• Molecular Weight: 1721.01
• ChEMBL ID: CHEMBL5192321
• DSSTox Substance ID: DTXSID00583202
• Mol file: 186901-48-4.mol

Synonyms:2-14-Somatostatin(Petromyzon marinus), 2-L-proline-14a-L-lysinamide-; Cortistatin-14 (mouse);Cortistatin-14 (rat)

Chemical Property of CORTISTATIN-14

Chemical Property:

• Boiling Point: 2012.6±65.0 °C(Predicted)
• PKA: 12.47±0.70(Predicted)
• PSA: 675.86000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 3.12890
• Storage Temp.: −20°C
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 23
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 30
• Exact Mass: 1719.79015480
• Heavy Atom Count: 121
• Complexity: 3400

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cortistatin 14 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)C6CCCN6)C(=O)NC(CCCCN)C(=O)O)CO)CO)CC7=CC=CC=C7)O
• Isomeric SMILES: C[C@H]([C@H]1C(=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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCCCN)NC(=O)[C@@H]6CCCN6)C(=O)N[C@@H](CCCCN)C(=O)O)CO)CO)CC7=CC=CC=C7)O