8-(N-Methylalanine)cyclosporin A

Base Information

• Chemical Name: 8-(N-Methylalanine)cyclosporin A
• CAS No.: 108466-41-7
• Molecular Formula: C63H113 N11 O12
• Molecular Weight: 1216.63782
• Mol file: 108466-41-7.mol

Synonyms:8-(N-methyl-D-alanine)cyclosporin A;8-(N-methyl-L-alanine)cyclosporin A;8-(N-methylalanine)cyclosporin A;8-(N-methylalanine)cyclosporin A, (L)-isomer;MeAla(3)Cs

Chemical Property of 8-(N-Methylalanine)cyclosporin A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1294.2°Cat760mmHg
• Flash Point: 736.5°C
• PSA: 292.76000
• Density: 1.01g/cm³
• LogP: 4.32640
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 15
• Exact Mass: 1215.85701808
• Heavy Atom Count: 86
• Complexity: 2360

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C
• Isomeric SMILES: CC[C@H]1C(=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)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N(C(C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C