Trichovirin I IB

Base Information

• Chemical Name: Trichovirin I IB
• CAS No.: 137042-20-7
• Deprecated CAS: 167257-43-4
• Molecular Formula: C67H115 N15 O17
• Molecular Weight: 1402.72
• DSSTox Substance ID: DTXSID90160041
• Nikkaji Number: J668.481E
• Wikidata: Q83028420
• ChEMBL ID: CHEMBL4848824
• Mol file: 137042-20-7.mol

Synonyms:trichovirin I IB

Chemical Property of Trichovirin I IB

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1637.3°Cat760mmHg
• Flash Point: 944°C
• Density: 1.216g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 35
• Exact Mass: 1401.85953726
• Heavy Atom Count: 99
• Complexity: 2980

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(CO)NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C2CCCN2C(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C3CCCN3C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(C)(C)NC(=O)C
• Isomeric SMILES: CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)C(C)(C)NC(=O)C