N-Methyl-valyl-4-cyclosporin A

Base Information

• Chemical Name: N-Methyl-valyl-4-cyclosporin A
• CAS No.: 159605-70-6
• Molecular Formula: C61H109N11O12
• Molecular Weight: 1188.58466
• Nikkaji Number: J535.551F
• ChEMBL ID: CHEMBL2370190
• Mol file: 159605-70-6.mol

Synonyms:N-methyl-Val-4-CsA;N-methyl-valyl-4-cyclosporin A;SDZ 220-384;SDZ-220-384

Chemical Property of N-Methyl-valyl-4-cyclosporin A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1289.7°C at 760 mmHg
• Flash Point: 733.8°C
• PSA: 292.76000
• Density: 1.02g/cm³
• LogP: 3.54780
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 14
• Exact Mass: 1187.82571795
• Heavy Atom Count: 84
• Complexity: 2310

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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