(4-Hydroxy-N-methyl-L-leucine)cyclosporine

Base Information

• Chemical Name: (4-Hydroxy-N-methyl-L-leucine)cyclosporine
• CAS No.: 89270-25-7
• Molecular Formula: C62H111N11O13
• Molecular Weight: 1218.6106
• Mol file: 89270-25-7.mol

Synonyms:89270-25-7;(4-Hydroxy-N-methyl-L-leucine)cyclosporine;(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-9-(2-hydroxy-2-methylpropyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,18,24-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-9-(2-hydroxy-2-methyl-propyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,18,24-tris(2-methylpropyl)-3,21-dipropan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacon;[.gamma.-Hydroxy-MeLeu]9-CsA;[.gamma.-Hydroxy-MeLeu]9-Ciclosporin;[.gamma.-Hydroxy-MeLeu]9-Cyclosporin

Chemical Property of (4-Hydroxy-N-methyl-L-leucine)cyclosporine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1316.1°Cat760mmHg
• Flash Point: 749.8°C
• Density: 1.032g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 15
• Exact Mass: 1217.83628264
• Heavy Atom Count: 86
• Complexity: 2380

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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)O)C)C)C)CC(C)C)C)C(C)C)CC(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(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)O)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C