1,4-Thiazepine-4(5H)-acetic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, 1,1-dimethylethyl ester, (2S-trans)-

Base Information

• Chemical Name: 1,4-Thiazepine-4(5H)-acetic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, 1,1-dimethylethyl ester, (2S-trans)-
• CAS No.: 121840-71-9
• Molecular Formula: C₂₀H₃₀N₂O₅S₂
• Molecular Weight: 442.601
• DSSTox Substance ID: DTXSID201100895

Synonyms:DTXSID201100895;1,4-Thiazepine-4(5H)-acetic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, 1,1-dimethylethyl ester, (2S-trans)-;121840-71-9

Chemical Property of 1,4-Thiazepine-4(5H)-acetic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-5-oxo-2-(2-thienyl)-, 1,1-dimethylethyl ester, (2S-trans)-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 442.15961441
• Heavy Atom Count: 29
• Complexity: 615

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CN1CC(SCC(C1=O)NC(=O)OC(C)(C)C)C2=CC=CS2
• Isomeric SMILES: CC(C)(C)OC(=O)CN1C[C@H](SC[C@@H](C1=O)NC(=O)OC(C)(C)C)C2=CC=CS2

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