ethyl (3R,4S,5S)-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate

Base Information

• Chemical Name: ethyl (3R,4S,5S)-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
• CAS No.: 133645-49-5
• Molecular Formula: C₁₅H₂₉NO₅
• Molecular Weight: 303.399
• DSSTox Substance ID: DTXSID701127698
• Nikkaji Number: J471.077K

Synonyms:133645-49-5;SCHEMBL21788314;ethyl (3R,4S,5S)-4-((tert-butoxycarbonyl)amino)-3-hydroxy-5-methylheptanoate;DTXSID701127698;Ethyl (3R,4S,5S)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-5-methylheptanoate

Chemical Property of ethyl (3R,4S,5S)-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 303.20457303
• Heavy Atom Count: 21
• Complexity: 337

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(CC(=O)OCC)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)OCC)O)NC(=O)OC(C)(C)C

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