Bpoc-ala-OH
Basic information
- CAS
23631-89-2- Standard SMILES
C[C@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O- InChIKey
IZBDJSRNVBUKTE-ZDUSSCGKSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Names & identifiers
- Preferred name
- Bpoc-ala-OH
- IUPAC
- (2S)-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]propanoic acid
- English name
- Bpoc-Ala-OH
- Molecular formula
- C19H21NO4
- Molecular weight
- 327.38
Names & synonyms
BPOC-ALA-OH23631-89-2(2S)-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]propanoic AcidN-({[2-([1,1'-Biphenyl]-4-yl)propan-2-yl]oxy}carbonyl)-L-alanine(S)-2-(Bpoc-amino)-propionic acidDTXSID00427197FD21100(S)-2-((((2-([1,1'-Biphenyl]-4-yl)propan-2-yl)oxy)carbonyl)amino)propanoic acid(S)-2-((((2-([1,1'-Biphenyl]-4-yl)propan-2-yl)oxy)carbonyl)amino)propanoicacidBPOC-ALANINE2-(4-BIPHENYLYL)-ISOPROPYLOXYCARBONYL-L-ALANINEN-α-[2-(4-Biphenyl)isopropyloxycarbonyl]-L-alanine
Show more names
N-ALPHA-2-(4-BIPHENYL)-ISOPROPYLOXYCARBONYL-L-ALANINE(((2-([1,1'-biphenyl]-4-yl)propan-2-yl)oxy)carbonyl)-l-alanineL-Alanine, N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-
Database identifiers
- CAS
23631-89-2- PubChem CID
- 7019902
- DTXSID
DTXSID00427197- Nikkaji
- J365.241F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Boiling point
- 519.3 · 519.3±43.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 3.98 · 3.98±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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