Chemical Property of CID 16133842
Chemical Property:
- PKA:9.87±0.15(Predicted)
- Storage Temp.:−20°C
- XLogP3:2.1
- Hydrogen Bond Donor Count:14
- Hydrogen Bond Acceptor Count:17
- Rotatable Bond Count:19
- Exact Mass:1196.44193724
- Heavy Atom Count:84
- Complexity:2250
- Purity/Quality:
-
98%,99%, *data from raw suppliers
CYN154806 *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- Safety Statements:
22-24/25
- MSDS Files:
-
Useful:
- Canonical SMILES:CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)[N+](=O)[O-])NC(=O)C)C(=O)NC(CC6=CC=C(C=C6)O)C(=O)N)O
- Isomeric SMILES:C[C@H]([C@H]1C(=O)N[C@@H](CSSC[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=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C=C5)[N+](=O)[O-])NC(=O)C)C(=O)N[C@H](CC6=CC=C(C=C6)O)C(=O)N)O
