2-Propen-1-yl (2S)-2-[2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-ethyl-1-oxobutoxy]-4-methylpentanoate
Basic information
- CAS
204514-15-8- Standard SMILES
C=CCOC(=O)[C@H](CC(C)C)OC(=O)C(CC)(CC)CNC(=O)OC(C)(C)C- InChIKey
GMMNFVACLOZWNG-INIZCTEOSA-N- Molecular formula
- C21H37NO6
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.2620879
Names & identifiers
- Preferred name
- 2-Propen-1-yl (2S)-2-[2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-ethyl-1-oxobutoxy]-4-methylpentanoate
- IUPAC
- [(2S)-4-methyl-1-oxo-1-prop-2-enoxypentan-2-yl] 2-ethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoate
Names & synonyms
DTXSID7011088822-Propen-1-yl (2S)-2-[2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-ethyl-1-oxobutoxy]-4-methylpentanoate204514-15-8
Database identifiers
- CAS
204514-15-8- PubChem CID
- 165367447
- DTXSID
DTXSID701108882
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 532
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Compound notes
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