Chemical Property of Cyclothiazomycin
Chemical Property:
- PKA:2.75±0.70(Predicted)
- PSA：657.39000
- Density:1.76±0.1 g/cm3(Predicted)
- LogP:2.04030
- XLogP3:0.5
- Hydrogen Bond Donor Count:12
- Hydrogen Bond Acceptor Count:28
- Rotatable Bond Count:4
- Exact Mass:1472.2894370
- Heavy Atom Count:98
- Complexity:3400
- Purity/Quality:
-
99% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC=C1C(=O)NC2(C(=O)NC(C(=O)NCC(=O)NC(=CC)C(=O)N3CCCC3C(=O)NC(C4=C(C=CC(=N4)C5=NC(=CS5)C6=NC(CS6)C(=O)NC(=C)C7=NC(=CS7)C8=NC(=CS8)C9=NC(CS9)C(=O)NC(CS2)C(=O)O)C(=O)NC(C2=NC(CS2)C(=O)N1)CC(=O)N)C)C(C)O)C
- Isomeric SMILES:C/C=C\1/C(=O)N[C@@]2(C(=O)N[C@H](C(=O)NCC(=O)NC(=CC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C4=C(C=CC(=N4)C5=NC(=CS5)C6=N[C@@H](CS6)C(=O)NC(=C)C7=NC(=CS7)C8=NC(=CS8)C9=N[C@@H](CS9)C(=O)N[C@@H](CS2)C(=O)O)C(=O)N[C@H](C2=N[C@@H](CS2)C(=O)N1)CC(=O)N)C)[C@@H](C)O)C
