tert-Butyloxycarbonylvalyl-valyl-valyl-valyl-valyl-valyl-valyl-valine methyl ester
Basic information
- CAS
65519-02-0- Standard SMILES
COC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C- InChIKey
XRIYCGXDMUAYBJ-JPXRPICOSA-N- Molecular formula
- C46H84N8O11
- Average molar mass
- 925.2 g/mol
- Monoisotopic mass
- 924.62595553
Names & identifiers
- Preferred name
- tert-Butyloxycarbonylvalyl-valyl-valyl-valyl-valyl-valyl-valyl-valine methyl ester
- IUPAC
- methyl (2R)-3-methyl-2-[[(2S)-3-methyl-2-[[(2R)-3-methyl-2-[[(2S)-3-methyl-2-[[(2R)-3-methyl-2-[[(2S)-3-methyl-2-[[(2R)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate
- English name
- tert-butyloxycarbonylvalyl-valyl-valyl-valyl-valyl-valyl-valyl-valine methyl ester
- Molecular formula
- C46H84N8O11
- Molecular weight
- 925.21
Names & synonyms
Boc-(val-val)4-och3tert-Butyloxycarbonylvalyl-valyl-valyl-valyl-valyl-valyl-valyl-valine methyl ester65519-02-0RefChem:188286D-Valine, N-(N-(N-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-valyl)-D-valyl)-L-valyl)-D-valyl)-L-valyl)-D-valyl)-L-valyl)-, methyl esterD-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-D-valyl-L-valyl-D-valyl-L-valyl-D-valyl-L-valyl-, methyl ester (9CI)
Database identifiers
- CAS
65519-02-0- PubChem CID
- 128247
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 268 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 27
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,640
Physicochemical properties
- Boiling point
- 1094.021 · 1094.021±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.087 · 1.087±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.255 · 11.255±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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