alpha-Casozepine

Base Information

• Chemical Name: alpha-Casozepine
• CAS No.: 117592-45-7
• Molecular Formula: C60H94N14O16
• UNII: I24KIH8EZS
• Nikkaji Number: J2.132.983E
• Mol file: 117592-45-7.mol

Synonyms:alpha-casozepine

Chemical Property of alpha-Casozepine

Chemical Property:

• XLogP3: -0.8
• Hydrogen Bond Donor Count: 17
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 41
• Exact Mass: 1266.69722297
• Heavy Atom Count: 90
• Complexity: 2410

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)N
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)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)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N