Basic information
- CAS
114396-65-5- Standard SMILES
COC(=O)[C@](C)(CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C- InChIKey
LIGOGECYVNHKLT-BONVTDFDSA-N- Molecular formula
- C15H28N2O6
- Average molar mass
- 332.39 g/mol
- Monoisotopic mass
- 332.19473662
Names & identifiers
- Preferred name
- tert-Butyloxycarbonyl-valyl-alpha-methylserine methyl ester
- IUPAC
- methyl (2S)-3-hydroxy-2-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoate
- English name
- tert-butyloxycarbonyl-valyl-alpha-methylserine methyl ester
- Molecular formula
- C15H28N2O6
- Molecular weight
- 332.39
Names & synonyms
BVMSM114396-65-5tert-Butyloxycarbonyl-valyl-alpha-methylserine methyl esterBoc-val-alpha-meser-omeRefChem:188276methyl (2S)-3-hydroxy-2-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoateDTXSID00921347(2S)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-[(2S)-3-hydroxy-1-methoxy-2-methyl-1-oxopropan-2-yl]-3-methylbutanimidic acid2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-(3-hydroxy-1-methoxy-2-methyl-1-oxopropan-2-yl)-3-methylbutanimidic acidL-Serine, N-[N-[(1,1-dimethylethoxy)carbonyl]-L-valyl]-2-methyl-, methyl ester (9CI)
Database identifiers
- CAS
114396-65-5- PubChem CID
- 195076
- DTXSID
DTXSID00921347
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Melting point
- 104 · 104.0-107.0 °C
- Boiling point
- 514.181 · 514.181±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.187 · 11.187±0.46(predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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